SCHEMBL10111229

SCHEMBL10111229

CCCCc1ccc2c(ccn2C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.49
OXER1 Q8TDS5 2/20 0.48
S1PR1 P21453 1/20 0.45
CYP2A6 P11509 1/20 0.45
SKP2 Q13309 1/20 0.42
HSD11B1 P28845 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CHRNA7 P36544 2/20 0.40
FAAH O00519 1/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
PSMB5 P28074 1/20 0.38

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
SCHEMBL12348264 0.95 OXER1 (0.53) PRKCIOXER1S1PR1CYP2A6RORA
SCHEMBL18876154 0.89 PRKCI (0.52) PRKCIOXER1S1PR1CYP2A6HSD11B1
SCHEMBL27672700 0.82 PRKCI (0.45) PRKCIOXER1CYP2A6CHRNA7FAAH
SCHEMBL8738295 0.82 PRKCI (0.55) PRKCICYP2A6HSD11B1CHRNA7FAAH
SCHEMBL14402803 0.81 OXER1 (0.53) OXER1S1PR1CYP2A6RORARORC
SCHEMBL20562931 0.81 PRKCI (0.59) PRKCICYP2A6HSD11B1CHRNA7FAAH
SCHEMBL14402849 0.81 PRKCI (0.50) PRKCICYP2A6HSD11B1CHRNA7FAAH
SCHEMBL28909178 0.81 PRKCI (0.50) PRKCICYP2A6HSD11B1CHRNA7FAAH
SCHEMBL30046101 0.81 PRKCI (0.50) PRKCICYP2A6HSD11B1CHRNA7FAAH
SCHEMBL14161622 0.80 PRKCI (0.46) PRKCIOXER1S1PR1CYP2A6HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110709-B2 Stabilization of hydroformylation catalysts based on phosphoramide ligands BASF SE (DE) 2012-02-07 US disclosed
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2010-02-25 US disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
EP-1539666-B1 METHOD FOR PRODUCING DIALDEHYDES AND/OR ETHYLENICALLY UNSATURATED MONOALDEHYDES BY HYDROFORMYLATING ETHYLENICALLY UNSATURATED COMPOUNDS BASF SE (DE) 2009-01-07 EP disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 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 (2 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-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION PFKFB3, PHPT1, PFKFB4 PRKCI 2175/4885OXER1 1686/4885S1PR1 1799/4885
US-20100048959-A1 METHOD FOR THE HYDROFORMYLATION OF OLEFINS DOHH, CYP4F3, DHPS PRKCI 2785/4885OXER1 265/4885S1PR1 1266/4885

“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.