SCHEMBL12644239

SCHEMBL12644239

Cc1cc(/C=C/c2ccccc2)cc(C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 15/20 1.00
PTGS2 P35354 15/20 1.00
ALOX5 P09917 13/20 1.00
TTR P02766 3/20 1.00

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
SCHEMBL10946633 1.00 PTGS1 (1.00) PTGS1PTGS2ALOX5TTR
SCHEMBL1824102 0.86 PTGS1 (0.74) PTGS1PTGS2ALOX5TTR
SCHEMBL1824103 0.86 PTGS1 (0.74) PTGS1PTGS2ALOX5TTR
SCHEMBL12567451 0.84 PTGS1 (0.71) PTGS1PTGS2ALOX5TTR
SCHEMBL27620481 0.83 PTGS1 (0.70) PTGS1PTGS2ALOX5TTR
SCHEMBL25314840 0.82 ALOX5 (0.69) PTGS1PTGS2ALOX5TTR
Enofelast SCHEMBL636264 0.79 PTGS1 (1.00) PTGS1PTGS2ALOX5TTR
Enofelast SCHEMBL636263 0.79 PTGS1 (1.00) PTGS1PTGS2ALOX5TTR
SCHEMBL10385357 0.79 ALOX5 (1.00) PTGS1PTGS2ALOX5TTR
SCHEMBL172757 0.79 ALOX5 (0.66) PTGS1PTGS2ALOX5TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 US disclosed
CN-102369223-A Molecularly imprinted polymers COMMW SCIENT IND RES ORG 2012-03-07 CN disclosed
WO-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 WO 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 (3 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885ALOX5 1365/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885ALOX5 1365/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB PTGS1 3544/4885PTGS2 3961/4885ALOX5 1365/4885

“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.