SCHEMBL15002586

SCHEMBL15002586

C=C=Cc1cc(CC)cc(C(C)(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ HSPA5 P11021 1/20 0.36
▸ DHFR P00374 1/20 0.34
▸ TUBB1 Q9H4B7 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL16253612 0.90 PTGS2 (0.38) PTGS2TUBB1
SCHEMBL16253656 0.87 PTGS2 (0.38) PTGS2TUBB1
SCHEMBL18465078 0.83 PTGS2 (0.42) PTGS2HSPA5DHFRTUBB1ALDH1A1
SCHEMBL16253653 0.80 PTGS2 (0.42) PTGS2DHFRTUBB1ALDH1A1
SCHEMBL15002584 0.80 ALDH1A1 (0.36) PTGS2HSPA5ALDH1A1TSHRTDP1
SCHEMBL16253655 0.80 PTGS2 (0.42) PTGS2DHFRTUBB1
SCHEMBL17761938 0.80 PTGS2 (0.42) PTGS2TUBB1
SCHEMBL14999413 0.80 RARG (0.37) PTGS2ALDH1A1TSHRTDP1
SCHEMBL16253657 0.80 PTGS2 (0.37) PTGS2TUBB1
SCHEMBL18634394 0.79 PTGS2 (0.41) PTGS2HSPA5DHFRTUBB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170080409-A1 CATALYSTS FOR EPOXIDE CARBONYLATION NOVOMER, INC. (US) 2017-03-23 — — US disclosed
US-9359474-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2016-06-07 — — US disclosed
US-20150368394-A1 CATALYSTS AND METHODS FOR POLYESTER PRODUCTION NOVOMER, INC. 2015-12-24 — — US disclosed
US-8956989-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-17 — — US disclosed
US-20140343246-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-20 — — US disclosed
US-8633123-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2014-01-21 — — US disclosed
US-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-06-06 — — 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-20130144033-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 PTGS2 130/4885HSPA5 3232/4885DHFR 941/4885

“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.

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