SCHEMBL554730

SCHEMBL554730

CCCCCCC(C)(C)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
GGPS1 O95749 6/20 0.34
SMPD1 P17405 3/20 0.34
FDPS P14324 9/20 0.33
CES2 O00748 1/20 0.32

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
SCHEMBL15578250 1.00 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL26033082 0.91 LMNA (0.30) LMNA
SCHEMBL24008653 0.83 TSHR (0.33) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL4655855 0.83 OPRM1 (0.38) TSHRTHRBGGPS1SMPD1FDPS
SCHEMBL14778336 0.82 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL14776743 0.82 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL14778522 0.82 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL14778513 0.82 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL18506048 0.82 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1
SCHEMBL14778294 0.82 LMNA (0.36) LMNATSHRTHRBGGPS1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
US-20180002310-A1 CRYSTALLINE FORMS OF EFINACONAZOLE PERRIGO API LTD. (IL) 2018-01-04 US disclosed
EP-2914597-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-12-06 EP disclosed
US-20170190695-A1 PARASITE- AND HYGIENIC PEST-CONTROLLING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-06 US disclosed
US-9637480-B2 Parasite- and hygienic pest-controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-02 US disclosed
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
EP-2583964-B1 NEW CRYSTALLINE FORMS OF 4,4'-[4-FLUORO-7-({4-[4-(3-FLUORO-2-METHYLPHENYL)BUTOXY]PHENYL}ETHYNYL)-2-METHYL-1H-INDOLE-1,3-DIYL]DIBUTANOIC ACID ONO PHARMACEUTICAL CO (JP) 2016-03-23 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0063359-B1 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME BANYU PHARMACEUTICAL CO., LTD. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP disclosed
EP-0063359-A1 1,4-Dihydropyridine derivatives and processes for preparing the same BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-10-27 EP disclosed
EP-0000322-B1 COMPOUNDS HAVING AN ANTI-DEPRESSIVE OR TRANQUILIZING ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION Astra Läkemedel Aktiebolag (SE) 1982-05-05 EP disclosed
EP-0028682-A2 Intermediates useful at the preparation of compounds having anti-depressive or tranquilizing activity Astra Läkemedel Aktiebolag (SE) 1981-05-20 EP disclosed
EP-0000322-A1 Compounds having an anti-depressive or tranquilizing activity, pharmaceutical compositions containing them, and processes and intermediates for their preparation Astra Läkemedel Aktiebolag (SE) 1979-01-10 EP disclosed
US-4080469-A INSECTICIDES, MITICIDES UNION CARBIDE CORPORATION (US) 1978-03-21 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 (3 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-20180002310-A1 CRYSTALLINE FORMS OF EFINACONAZOLE CYP3A43, CYP4F3, CYP2F1 LMNA 2471/4885TSHR 4736/4885THRB 4823/4885
US-20170190695-A1 PARASITE- AND HYGIENIC PEST-CONTROLLING AGENT H1-3, H1-2, H1-0 LMNA 3380/4885TSHR 1004/4885THRB 2287/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885TSHR 3427/4885THRB 3798/4885

“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.