SCHEMBL6907952

SCHEMBL6907952

Cc1ccccc1C1OC1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
TSHR P16473 1/20 0.43
HTR2C P28335 5/20 0.42
HTR2A P28223 3/20 0.42
HTR2B P41595 3/20 0.42
TAAR1 Q96RJ0 1/20 0.40
PBRM1 Q86U86 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33

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
SCHEMBL6907948 1.00 ACHE (0.43) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL16795869 0.91 HTR2C (0.38) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL16796772 0.84 HDAC4 (0.36) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL14012479 0.76 HTR2C (0.40) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL15823379 0.76 HSP90AA1 (0.34) TSHRHTR2CHTR2AHTR2BALDH1A1
SCHEMBL16795867 0.74 HTR2C (0.36) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL20537582 0.74 HTR2C (0.36) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL20537478 0.74 HTR2C (0.36) ACHETSHRHTR2CHTR2AHTR2B
SCHEMBL23376906 0.73 SMN1; SMN2 (0.42) TSHRHTR2CHTR2AHTR2BTAAR1
SCHEMBL4596194 0.73 HTR2A (0.41) TSHRHTR2CHTR2AHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024010529-A1 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-01-11 WO disclosed
CN-113200708-B End-capping method for tubular ceramic membrane 四川凯歌微纳科技有限公司 2023-01-10 CN disclosed
US-6686483-B2 REACTING AN OXIDIZER WITH AN OLEFIN IN PRESENCE OF KETONE COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-03 US disclosed
EP-1021426-B1 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2003-09-17 EP disclosed
US-20020133031-A1 Catalytic asymmetric epoxidation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-09-19 US disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 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 (1 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-20020133031-A1 Catalytic asymmetric epoxidation CBR1, AOX1, CBR3 ACHE 1345/4885TSHR 3442/4885HTR2C 4593/4885

“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.