SCHEMBL2567242

SCHEMBL2567242

[CH2]c1cc(C)ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ LMNA P02545 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3881563 0.81 ACHE (0.62) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL2811538 0.78 CA2 (0.41) ACHEALDH1A1CYP3A4MAPTKMT2A
SCHEMBL29403877 0.77 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL12518 0.77 ACHE (1.00) ACHEALDH1A1CYP3A4MAPTL3MBTL1
Formaldehyde SCHEMBL28110221 0.76 ACHE (0.86) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL232793 0.76 CA12 (0.62) ALDH1A1CYP3A4MAPTL3MBTL1KMT2A
SCHEMBL16951722 0.76 MAPT (0.47) ACHEALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL16955509 0.76 ACHE (0.40) ACHEALDH1A1CYP3A4MAPTHPGD
SCHEMBL144308 0.75 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTL3MBTL1
SCHEMBL29352952 0.75 ACHE (0.68) ACHEALDH1A1CYP3A4MAPTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 — — EP claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 — — WO claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — WO disclosed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 — — US disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 — — US disclosed
EP-3322296-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-23 — — EP disclosed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 — — US disclosed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 — — EP disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 — — EP disclosed
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
WO-2017009321-A1 SUBSTITUTED OXO-TETRAHYDROQUINOLINYL-PHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-19 — — WO disclosed
US-5679677-A CARDIOVASCULAR DISORDERS LUITPOLD PHARMA GMBH (DE) 1997-10-21 — — US disclosed
EP-0437186-B1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA GEIGY AG (CH) 1995-12-06 — — EP disclosed
EP-0649839-A1 Isoquinolinone-, phthalazinone-, quinazolinone- and benzotriazolinone derivatives, their preparation and their use as anti-thrombotics LUITPOLD PHARMA GmbH (DE) 1995-04-26 — — EP disclosed
WO-1995009842-A1 ISOQUINOLINONE-, PHTHALAZINONE-, QUINAZOLINONE- AND BENZOTRIAZOLINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-THROMBOTICS LUITPOLD PHARMA GMBH (DE) 1995-04-13 — — WO disclosed
EP-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 — — EP disclosed
US-5272192-A Melamine derivatives as stabilizers for chloride-containing polymers CIBA-GEIGY CORPORATION (US) 1993-12-21 — — US disclosed
EP-0437186-A1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA-GEIGY AG (CH) 1991-07-17 — — EP disclosed
US-5030671-A Metal carboxylate and/or phenolate mixture CIBA-GEIGY CORPORATION (US) 1991-07-09 — — US disclosed
EP-0365483-A1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA-GEIGY AG (CH) 1990-04-25 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR ACHE 2862/4885ALDH1A1 652/4885CYP3A4 775/4885
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants CBR3, CBR1, CBS ACHE 3712/4885ALDH1A1 4235/4885CYP3A4 1782/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C ACHE 3699/4885ALDH1A1 3502/4885CYP3A4 3893/4885
US-20170027172-A1 USE OF SUBSTITUTE OXO TETRAHYDROQUINOLINE SULFONAMIDES OR SALTS THEREOF FOR RAISING STRESS TOLERANCE OF PLANTS TST, GSS, SQOR ACHE 2453/4885ALDH1A1 2146/4885CYP3A4 344/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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