SCHEMBL1446334

SCHEMBL1446334

COc1ccccc1OCC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.61
▸ CYP1A2 P05177 2/20 0.61
▸ AGTR1 P30556 1/20 0.61
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CA7 P43166 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ CA14 Q9ULX7 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 2/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ APP P05067 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46

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
SCHEMBL4334443 0.91 ALDH1A1 (0.55) LMNACYP1A2AGTR1SMN1; SMN2KDM4E
Acetonitrile SCHEMBL10703316 0.91 LMNA (0.53) LMNACYP1A2AGTR1CA12CA1
Acetaldehyde SCHEMBL10704170 0.91 LMNA (0.53) LMNACYP1A2AGTR1CA12CA1
SCHEMBL29120476 0.83 LMNA (0.58) LMNACYP1A2AGTR1CA12CA1
SCHEMBL10639362 0.83 LMNA (0.58) LMNACYP1A2AGTR1CA12CA1
SCHEMBL1496733 0.83 LMNA (0.68) LMNACYP1A2AGTR1CA12CA1
SCHEMBL7415697 0.83 LMNA (0.58) LMNACYP1A2AGTR1CA12CA1
SCHEMBL8684485 0.83 LMNA (0.58) LMNACYP1A2AGTR1CA12CA1
SCHEMBL5080663 0.83 ALOX15 (0.56) LMNACYP1A2AGTR1KDM4EL3MBTL1
SCHEMBL6123816 0.82 IDO1 (0.50) LMNACYP1A2AGTR1SMN1; SMN2POLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067515-A1 THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2023-04-27 — — WO disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 — — CN disclosed
EP-1724013-B1 ASYMMETRIC REACTION CATALYST AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS WITH THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2015-01-28 — — EP disclosed
US-8937060-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2015-01-20 — — US disclosed
US-7910762-B2 mixing a pentavalent niobium compound and a tetraol having an optically active binapthol; catalysts for the following asymmetric reactions: Mannich, epoxide ring opening, allylation, cyanation, and alkylation; reacting silicon enolate with imine to form beta-aminocarbonyl compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-22 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7667078-B2 Asymmetric reaction catalyst and method for preparing optically active compound using the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-23 — — US disclosed
US-20100029968-A1 ASYMMETRIC REACTION CATALYST AND METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND USING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-02-04 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20070265472-A1 Asymmetric Reaction Catalyst and Method for Preparing Optically Active Compound Using the Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-11-15 — — US disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 — — WO disclosed
EP-1724013-A1 ASYMMETRIC REACTION CATALYST AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS WITH THE SAME Japan Science and Technology Agency (JP) 2006-11-22 — — 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A LMNA 3909/4885CYP1A2 4647/4885AGTR1 842/4885
US-20100029968-A1 ASYMMETRIC REACTION CATALYST AND METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND USING THE SAME SQLE, DNTT, TDO2 LMNA 4402/4885CYP1A2 495/4885AGTR1 1899/4885
US-20070265472-A1 Asymmetric Reaction Catalyst and Method for Preparing Optically Active Compound Using the Same SQLE, TDO2, DNTT LMNA 4206/4885CYP1A2 362/4885AGTR1 1667/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E LMNA 3643/4885CYP1A2 587/4885AGTR1 730/4885

“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.

Send feedback