SCHEMBL17147181

SCHEMBL17147181

Fc1ccc(C2=CC=C(c3ccccc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 1/20 0.39
NFE2L2 Q16236 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3982745 0.85 ALDH1A1 (0.47) KDM4ESIGMAR1CYP3A4TAAR1HSD17B10
SCHEMBL14192246 0.79 CYP3A4 (0.64) KDM4EMAOAMAOBCYP3A4TAAR1
SCHEMBL8681494 0.78 MAPK14 (0.41) PTGS1PTGS2MAOBNPC1RAB9A
SCHEMBL21625337 0.77 NPC1 (0.45) KDM4EMAOAMAOBTDP1NPC1
SCHEMBL12444110 0.77 ALDH1A1 (0.60) PTGS1PTGS2NFE2L2CYP3A4TAAR1
SCHEMBL412237 0.77 ALDH1A1 (0.60) PTGS1PTGS2NFE2L2CYP3A4TAAR1
SCHEMBL7938359 0.77 ALDH1A1 (0.60) PTGS1PTGS2NFE2L2CYP3A4TAAR1
SCHEMBL456797 0.77 ALDH1A1 (0.33) SIGMAR1ALDH1A1
SCHEMBL17147187 0.76 ACHE (0.39) PTGS1PTGS2NFE2L2MAOBTDP1
Water SCHEMBL6337149 0.75 ALDH1A1 (0.56) PTGS1PTGS2NFE2L2CYP3A4TAAR1

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-9701771-B2 Substituted zirconocenes catalysts and methods of use in polymerization reactions BASELL POLYOLEFINE GMBH (DE) 2017-07-11 US disclosed
US-9701771-B2 Substituted zirconocenes catalysts and methods of use in polymerization reactions BASELL POLYOLEFINE GMBH (DE) 2017-07-11 US disclosed
US-9422380-B2 Non-bridged metallocene complexes for the polymerization of olefins Basell Polyolefine Wesseling (DE) 2016-08-23 US disclosed
US-9422380-B2 Non-bridged metallocene complexes for the polymerization of olefins Basell Polyolefine Wesseling (DE) 2016-08-23 US disclosed
US-9422319-B2 Bisaryl metallocenes and use thereof to produce polyolefins BASELL POLYOLEFINE GMBH (DE) 2016-08-23 US disclosed
US-9422319-B2 Bisaryl metallocenes and use thereof to produce polyolefins BASELL POLYOLEFINE GMBH (DE) 2016-08-23 US disclosed
US-20150284489-A1 NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2015-10-08 US disclosed
US-20150284489-A1 NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2015-10-08 US disclosed
US-20150284490-A1 SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS BASELL POLYOLEFIN GMBH (DE) 2015-10-08 US disclosed
US-20150284418-A1 BISARYL METALLOCENES AND USE THEREOF TO PRODUCE POLYOLEFINS BASELL POLYOLEFIN GMBH (DE) 2015-10-08 US disclosed
US-20150284418-A1 BISARYL METALLOCENES AND USE THEREOF TO PRODUCE POLYOLEFINS BASELL POLYOLEFIN GMBH (DE) 2015-10-08 US disclosed
US-20150284490-A1 SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS BASELL POLYOLEFIN GMBH (DE) 2015-10-08 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-20150284418-A1 BISARYL METALLOCENES AND USE THEREOF TO PRODUCE POLYOLEFINS PCBP1, PARG, PARN PTGS1 3548/4885PTGS2 2037/4885KDM4E 3356/4885
US-20150284490-A1 SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS MAOA, MPO, PARP1 PTGS1 2569/4885PTGS2 1679/4885KDM4E 1471/4885
US-20150284489-A1 NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS PCBP1, MORF4L1, PPIL4 PTGS1 2480/4885PTGS2 2298/4885KDM4E 2960/4885

“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.