SCHEMBL875014

SCHEMBL875014

C[C@@H](O)[C@@H](C)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.54
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL27032370 1.00 RCE1 (0.54) RCE1HTTLMNATSHRALDH1A1
SCHEMBL9730172 1.00 RCE1 (0.54) RCE1HTTLMNATSHRALDH1A1
SCHEMBL15013883 1.00 RCE1 (0.54) RCE1HTTLMNATSHRALDH1A1
SCHEMBL874697 1.00 RCE1 (0.54) RCE1HTTLMNATSHRALDH1A1
SCHEMBL31571480 0.88 RCE1 (0.54) RCE1HTTLMNATSHRALDH1A1
SCHEMBL29049050 0.88 RCE1 (0.54) RCE1HTTLMNATSHRALDH1A1
SCHEMBL17663535 0.85 MAPT (0.53) RCE1HTTLMNATSHRALDH1A1
SCHEMBL7155541 0.85 MAPT (0.53) RCE1HTTLMNATSHRALDH1A1
SCHEMBL20370148 0.84 RCE1 (0.51) RCE1HTTLMNATSHRALDH1A1
SCHEMBL13773424 0.84 RCE1 (0.51) RCE1HTTLMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 US claimed
EP-2619186-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION Bayer Pharma Aktiengesellschaft (DE) 2013-07-31 EP claimed
WO-2012038411-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-29 WO claimed
US-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS SERVIER LAB (FR) 2024-07-25 US disclosed
EP-4308570-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS Les Laboratoires Servier (FR) 2024-01-24 EP disclosed
WO-2022194976-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LES LABORATOIRES SERVIER (FR) 2022-09-22 WO disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9359306-B2 Process for preparing pan-CDK inhibitors of the formula (I), and intermediates in the preparation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
EP-2342185-B1 SULFON SUBSTITUTED ANILINE PYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THEIR MANUFACTURE AND USE AS MEDICINE BAYER IP GMBH (DE) 2016-01-13 EP disclosed
WO-2010046035-A1 SULFOXIMINE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 WO disclosed
WO-2010046034-A1 SULFONE-SUBSTITUTED ANILINOPYRIMIDINE DERIVATIVES AS CDK INHIBITORS, THE PRODUCTION THEREOF, AND USE AS A MEDICINE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 WO disclosed
EP-2179991-A1 Sulfoximine substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-2179993-A1 Sulfoxide substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-2179993-A1 Sulfoxide substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-2179992-A1 Sulfon substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
EP-2179991-A1 Sulfoximine substituted aniline pyrimidine derivatives as CDK inhibitors, their manufacture and use as medicine Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-28 EP disclosed
US-5167863-A Ferroelectricity; electrooptic switches HITACHI, LTD. (JP) 1992-12-01 US disclosed
EP-0322862-A2 Optically active compounds, their preparation and their use in liquid crystal compositions and liquid crystal optical modulators HITACHI, LTD. (JP) 1989-07-05 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 (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-20240246992-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PARK7, PINK1 RCE1 1055/4885HTT 884/4885LMNA 2450/4885
US-20130245261-A1 PROCESS FOR PREPARING PAN-CDK INHIBITORS OF THE FORMULA (I), AND INTERMEDIATES IN THE PREPARATION CDK1, CDK9, CDK6 RCE1 703/4885HTT 4150/4885LMNA 1172/4885

“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.