SCHEMBL5489164

SCHEMBL5489164

OCC1=CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CES1 P23141 1/20 0.39
MPO P05164 1/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
G6PC1 P35575 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL7406702 0.85 SIGMAR1 (0.50) SIGMAR1CES1MPOSRD5A1SRD5A2
SCHEMBL28424372 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOSRD5A1SRD5A2
SCHEMBL6825529 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOSRD5A1SRD5A2
SCHEMBL11503302 0.80 MPO (0.57) SIGMAR1CES1MPOHPGDL3MBTL1
SCHEMBL9379776 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL7837577 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOSRD5A1SRD5A2
SCHEMBL29446311 0.80 SIGMAR1 (0.46) SIGMAR1CES1MPOG6PC1CYP2A6
SCHEMBL2674626 0.79 SIGMAR1 (0.43) SIGMAR1CES1SRD5A1SRD5A2HPGD
SCHEMBL3614042 0.79 HTR6 (0.53) CES1HPGDL3MBTL1MAOAMAOB
Hydrochloric Acid SCHEMBL10649574 0.78 SIGMAR1 (0.44) SIGMAR1CES1MPOG6PC1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394194-B1 PROTECTED AMINO-ACIDS AND PROCESS FOR THEIR PREPARATION CALBIOCHEM-NOVABIOCHEM AG (CH) 1993-08-18 EP claimed
JP-10109965-A None JP disclosed
US-20070161598-A1 Compositions and methods for treatment of disease with acetylated disaccharides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-12 US disclosed
EP-0832883-B1 Tetrahydrobenzo(a)fluorene compounds and methods of use LILLY CO ELI (US) 2002-04-03 EP disclosed
US-5821253-A INHIBIT BONE LOSS OR RESORPTION, LOWER SERUM CHOLESTEROL LEVELS ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
JP-H10109965-A TETRAHYDROBENZO(A)FLUORENE COMPOUND AND ITS USE ELI LILLY & CO 1998-04-28 JP disclosed
EP-0832883-A1 Tetrahydrobenzo(a)fluorene compounds and methods of use ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0281283-B1 HETEROCYCLIC COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-10 EP disclosed
US-4910212-A Containing 1,2,4-triazole or imidazole ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-20 US disclosed
EP-0281283-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-07 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-20070161598-A1 Compositions and methods for treatment of disease with acetylated disaccharides ASAH2, ALG1, MAN2B1 SIGMAR1 3917/4885CES1 234/4885MPO 588/4885

“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.