Sugi Predict

Sugi Predict / Compounds / SCHEMBL2607764

SCHEMBL2607764

SCHEMBL2607764

OCCSc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ TSHR P16473 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ IFNAR1 P17181 1/20 0.41
▸ MAPK1 P28482 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 2/20 0.40

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
SCHEMBL2607768 0.89 ALDH1A1 (0.45) ALDH1A1TSHRUSP2HDAC3HDAC4
SCHEMBL25413385 0.87 MAPK1 (0.41) ALDH1A1TSHRUSP2MAPK1KDM4E
SCHEMBL2232580 0.83 HDAC3 (0.45) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL6293960 0.83 IFNAR1 (0.43) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL28409124 0.83 ALDH1A1 (0.40) ALDH1A1TSHRUSP2MAPK1KDM4E
SCHEMBL29594315 0.80 S100A4 (0.50) ALDH1A1TSHRMAPK1KDM4ECYP1A2
SCHEMBL10035839 0.80 S100A4 (0.50) ALDH1A1TSHRMAPK1KDM4ECYP1A2
SCHEMBL1493101 0.80 ALDH1A1 (0.44) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL8038665 0.80 IFNAR1 (0.41) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL29137793 0.80 IFNAR1 (0.41) ALDH1A1TSHRHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055922-A Naphthalene dithiol and its derivatives, and their preparation method and use 菅井化学工业株式会社 2024-05-17 — — CN disclosed
CN-117157277-A 1, 6-naphthalene dithiol and process for producing the same 菅井化学工业株式会社 2023-12-01 — — CN disclosed
WO-2023058449-A1 NAPHTHALENE DITHIOL AND DERIVATIVE THEREOF, AND PRODUCTION METHODS AND USES FOR SAME スガイ化学工業株式会社 2023-04-13 — — WO disclosed
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 — — CN disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 — — US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 — — US disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 — — WO disclosed
EP-1954732-A1 COMPOSITIONS FOR BRIGHTNESS ENHANCING FILMS General Electric Company (US) 2008-08-13 — — EP disclosed
EP-0594624-A4 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE. SCRIPPS CLINIC RES (US) 1994-02-21 — — EP disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 — — US disclosed
US-5276159-A Antitumor THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-04 — — US disclosed
WO-1992002522-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 — — WO disclosed
EP-0093010-B1 ALPHA-HYDROXYETHYLPHOSPHINATES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-06-11 — — EP disclosed
US-4554111-A α-Hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-11-19 — — US disclosed
US-4544652-A α-Hydroxyethylphosphinates, and their use as fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-10-01 — — US disclosed
EP-0093010-A2 Alpha-hydroxyethylphosphinates, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-02 — — EP disclosed
US-4248795-A BY OXIDATION OF THE CORRESPONDING SULFIDE WITH AN AQUEOUS PERACID SOLUTION UNION CARBIDE CORPORATION (US) 1981-02-03 — — US disclosed
US-4097526-A OXIDIZING SULFIDE COMPOUND WITH HYDROGEN PEROXIDE, A CARBOXYLIC ACID, MINERAL OR SULFONIC ACID CATALYSTS UNION CARBIDE CORPORATION (US) 1978-06-27 — — US 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 (2 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B ALDH1A1 3676/4885TSHR 534/4885USP2 4133/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B ALDH1A1 3676/4885TSHR 534/4885USP2 4133/4885

“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.