SCHEMBL7388980

SCHEMBL7388980

COc1ccc2c(c1)Oc1cc(OC)ccc1C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
CA2 P00918 5/20 0.40
CA5A P35218 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HTR2C P28335 2/20 0.39
HTR2A P28223 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CA9 Q16790 5/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 3/20 0.39
CA7 P43166 3/20 0.39

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
SCHEMBL17482943 0.78 TRPA1 (0.49) TRPA1ALDH1A1KDM4ENPC1MAPT
SCHEMBL8631238 0.77 CA12 (0.36) CA2ALDH1A1HTR2CHTR2AMAPT
SCHEMBL7392264 0.77 ALDH1A1 (0.40) CA2ALDH1A1CA9CA12CA1
SCHEMBL20208898 0.77 HTR2C (0.53) CA2ALDH1A1HTR2CHTR2AKDM4E
SCHEMBL29706055 0.77 HTR2C (0.53) CA2ALDH1A1HTR2CHTR2AKDM4E
SCHEMBL17050197 0.77 CYP3A4 (0.47) CA2CA5AALDH1A1KDM4EMAPT
SCHEMBL28731104 0.76
SCHEMBL17305557 0.75 PDK2 (0.50) TRPA1ALDH1A1KDM4ENPC1MAPT
SCHEMBL25613974 0.74 ALDH1A1 (0.40) CA2CA5AALDH1A1KDM4ENPC1
SCHEMBL4640526 0.74 CA12 (0.46) CA2CA5AALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLYPHOR LTD. (CH) 2010-03-04 US disclosed
US-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLYPHOR LTD. (CH) 2010-03-04 US disclosed
US-7582604-B2 Template-fixed peptidomimetics with antibacterial activity POLYPHOR LTD. (CH) 2009-09-01 US disclosed
US-7582604-B2 Template-fixed peptidomimetics with antibacterial activity POLYPHOR LTD. (CH) 2009-09-01 US disclosed
EP-1458747-B1 TEMPLATE-FIXED PEPTIDOMIMETICS AS INHIBITORS OF SERINE PROTEASES POLYPHOR LTD (CH) 2009-02-11 EP disclosed
US-7417024-B2 Template-fixed peptidomimetics as inhibitors of serine proteases POLYPHOR LTD. (CH) 2008-08-26 US disclosed
US-7417024-B2 Template-fixed peptidomimetics as inhibitors of serine proteases POLYPHOR LTD. (CH) 2008-08-26 US disclosed
US-7253146-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD (CH) 2007-08-07 US disclosed
US-7253146-B2 Template-fixed peptidomimetics with antimicrobial activity POLYPHOR LTD (CH) 2007-08-07 US disclosed
US-5811548-A USEFUL AS RESEARCH TOOLS IN THE DETERMINATION OF BIOLOGICALLY ACTIVE PEPTIDE SEQUENCES HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
US-5811389-A INHIBITING PLATELET AGGREGATION; BLOOD DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-09-22 US disclosed
EP-0592791-A2 Tricyclic compounds and peptide derivatives thereof F. HOFFMANN-LA ROCHE AG (CH) 1994-04-20 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-20100056432-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH ANTIBACTERIAL ACTIVITY POLL, QPCTL, PEPD TRPA1 1996/4885CA2 2301/4885CA5A 4277/4885

“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.