SCHEMBL17147671

SCHEMBL17147671

C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
KDM1A O60341 3/20 0.41
RCOR1 Q9UKL0 1/20 0.41
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
LIPE Q05469 1/20 0.39
MAOB P27338 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL17147670 1.00 HTR2C (0.53) HTR2CKDM1ARCOR1HTR2AHTR2B
SCHEMBL19101157 1.00 HTR2C (0.53) HTR2CKDM1ARCOR1HTR2AHTR2B
SCHEMBL19102566 0.83 NOTUM (0.37) HTR2CKDM1AHTR2AHTR2BCHRNB2
SCHEMBL17151050 0.83 NOTUM (0.37) HTR2CKDM1AHTR2AHTR2BCHRNB2
SCHEMBL18848434 0.81 HTR2C (0.55) HTR2CKDM1ARCOR1HTR2AHTR2B
SCHEMBL12875674 0.81 HTR2C (0.55) HTR2CKDM1ARCOR1HTR2AHTR2B
SCHEMBL25246705 0.79 HTR2C (0.53) HTR2C
SCHEMBL25025483 0.79 HTR2C (0.53) HTR2C
SCHEMBL19733862 0.79 HTR2C (0.53) HTR2CKDM1ARCOR1MAOBCHRNB2
SCHEMBL25024467 0.79 HTR2C (0.53) HTR2C

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-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-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-20150284489-A1 NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE 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 HTR2C 3282/4885KDM1A 3091/4885RCOR1 4260/4885
US-20150284490-A1 SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS MAOA, MPO, PARP1 HTR2C 1192/4885KDM1A 526/4885RCOR1 4302/4885
US-20150284489-A1 NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS PCBP1, MORF4L1, PPIL4 HTR2C 4249/4885KDM1A 3026/4885RCOR1 3054/4885

“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.