SCHEMBL5467690

SCHEMBL5467690

O=CCC1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
CYP19A1 P11511 1/20 0.46
TBXAS1 P24557 1/20 0.46
BLM P54132 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM4C Q9H3R0 2/20 0.42
KDM5A P29375 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL829496 0.95 HTR6 (0.43) IDO1CYP19A1TBXAS1BLMTSHR
SCHEMBL833049 0.89 HTR6 (0.50) IDO1PDPK1
SCHEMBL5613177 0.83 HTR1A (0.49) IDO1CYP19A1TBXAS1SIGMAR1
SCHEMBL11574737 0.81 IDO1 (0.47) IDO1CYP19A1TBXAS1SIGMAR1
SCHEMBL1566770 0.80 CYP19A1 (0.49) IDO1CYP19A1TBXAS1BLMTSHR
SCHEMBL7898127 0.80 IDO1 (0.52) IDO1CYP19A1TBXAS1SIGMAR1
SCHEMBL28421061 0.79 IDO1 (0.45) IDO1CYP19A1TBXAS1BLMTSHR
SCHEMBL8875391 0.79 ACHE (0.53) CYP19A1ALDH1A1SIGMAR1
Hydrochloric Acid SCHEMBL27196405 0.79 HTR6 (0.55) IDO1CYP19A1TBXAS1
SCHEMBL1568052 0.78 BLM (0.51) BLMTSHRALDH1A1SIGMAR1KDM4C

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
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 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 (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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO IDO1 1009/4885CYP19A1 707/4885TBXAS1 15/4885

“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.