SCHEMBL15002989

SCHEMBL15002989

CCc1cc(C(C)(C)C)cc(C(C)C)c1OC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34

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
SCHEMBL14999423 0.85
SCHEMBL14999487 0.84 PTGS2 (0.39) TAAR1
SCHEMBL13130527 0.83 CYP2C19 (0.50)
SCHEMBL14874575 0.81 MEN1 (0.33)
SCHEMBL13843681 0.80 MTNR1A (0.37)
SCHEMBL14999405 0.79 CYP2C9 (0.44)
SCHEMBL13843683 0.79 POLB (0.38)
SCHEMBL13452244 0.79 DHFR (0.41)
SCHEMBL13130588 0.78 MAPK1 (0.43)
SCHEMBL13452000 0.77 RARG (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403861-B2 Salen complexes with dianionic counterions NOVOMER, INC. (US) 2016-08-02 US disclosed
US-9327280-B2 Catalytic carbonylation catalysts and methods NOVOMER, INC. (US) 2016-05-03 US disclosed
US-8956989-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-17 US disclosed
US-8946109-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2015-02-03 US disclosed
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-13 US disclosed
US-20140296522-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS Novomer, Inc (US) 2014-10-02 US disclosed
US-8633123-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2014-01-21 US disclosed
US-20130144032-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 (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-20140296522-A1 CATALYTIC CARBONYLATION CATALYSTS AND METHODS CBR3, CBR1, EPHX2 TAAR1 3051/4885P2RX3 3493/4885P2RX2 3281/4885
US-20140336354-A1 SALEN COMPLEXES WITH DIANIONIC COUNTERIONS NCLN, POLN, NCL TAAR1 2870/4885P2RX3 3626/4885P2RX2 3815/4885
US-20130144032-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 TAAR1 4366/4885P2RX3 4531/4885P2RX2 4295/4885

“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.