SCHEMBL6837015

SCHEMBL6837015

OCCSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
ADORA1 P30542 1/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
DAO P14920 1/20 0.41
IDO1 P14902 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ORAI1 Q96D31 1/20 0.39
ORAI2 Q96SN7 1/20 0.39
ORAI3 Q9BRQ5 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL4089162 0.85 CA2 (0.53) HRH3CA2CA12CA1CA7
SCHEMBL13724698 0.83 HRH3 (0.44) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL8637757 0.82 CA2 (0.61) CA2CA12CA1CA7CA13
SCHEMBL4904511 0.79 TAAR1 (0.50) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL13799440 0.79 AR (0.50) HRH3CA2CA12CA1CA7
SCHEMBL23867049 0.79 HRH3 (0.49) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL10684156 0.79 ALDH1A1 (0.55) HRH3CA2CA12CA1CA7
SCHEMBL4190589 0.79 HRH3 (0.49) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL3260495 0.79 CA2 (0.47) HRH3CA2CA12CA1CA7
SCHEMBL28367599 0.78 HRH3 (0.46) HRH3HTR1ADRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed
US-6759511-B2 A CARBONIC ACID 4-NITRO-PHENYL ESTER 2-(4-TRIFLULOROMETHYL-PHENYLSULFANYL)-ETHYL ESTER AS CHEMICAL INTERMEDIATES; AMIDATION, CARBOXYLATION, SULFONATION HANCHEM CO., LTD. (KR) 2004-07-06 US disclosed
US-20030220469-A1 Novel compound used as an amino-protecting group, process for preparing the same, and synthetic method of a peptide using the same HANCHEM CO., LTD. (KR) 2003-11-27 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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN HRH3 1138/4885CA2 262/4885CA12 159/4885
US-20030220469-A1 Novel compound used as an amino-protecting group, process for preparing the same, and synthetic method of a peptide using the same NGLY1, VIP, BCAT2 HRH3 3532/4885CA2 445/4885CA12 280/4885

“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.