SCHEMBL6906893

SCHEMBL6906893

Cc1ccccc1[C@H]1O[C@@H]1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
HTR2C P28335 3/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 6/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
EPHX1 P07099 2/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL6906896 1.00 ESR1 (0.39) ESR1HTR2CHTR2AHTR2BSLC6A2
SCHEMBL6907948 0.73 ACHE (0.43) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL6907952 0.73 ACHE (0.43) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL6276896 0.71 EPHX1 (0.61) HTR2BSLC6A2TSHRSLC6A3EPHX1
SCHEMBL29657678 0.68 HTR2C (0.43) HTR2CHTR2AHTR2BSLC6A2TSHR
SCHEMBL9420771 0.68 HTR2C (0.43) HTR2CHTR2AHTR2BSLC6A2TSHR
SCHEMBL16795869 0.67 HTR2C (0.38) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL4087274 0.67 HTR2C (0.42) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL9849476 0.66 TSHR (0.45) HTR2CHTR2AHTR2BTSHRACHE
SCHEMBL14012479 0.65 HTR2C (0.40) HTR2CHTR2AHTR2BTSHRACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686483-B2 REACTING AN OXIDIZER WITH AN OLEFIN IN PRESENCE OF KETONE COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-03 US 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 ESR1 1682/4885HTR2C 4593/4885HTR2A 4852/4885

“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.