SCHEMBL5755657

SCHEMBL5755657

Cc1ccc(CP)c(C)c1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31

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
Bromide SCHEMBL22129268 0.97 CYP1A2 (0.30) CYP1A2CYP2A6TSHRTDP2NSD2
Water SCHEMBL22163766 0.97 CYP1A2 (0.30) CYP1A2CYP2A6TSHRTDP2NSD2
Hydrochloric Acid SCHEMBL22129239 0.97 CYP1A2 (0.30) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL9839922 0.78 TAAR1 (0.34) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL598503 0.76 TDP2 (0.37) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL31095112 0.76 TDP2 (0.37) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL8436160 0.76 CYP1A2 (0.32) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL803140 0.75 TDP2 (0.31) TDP2NSD2HSP90AA1PAX8
SCHEMBL1343352 0.74 IDO1 (0.35) CYP1A2CYP2A6TSHRTDP2NSD2
SCHEMBL358606 0.74 PDCD1 (0.43) CYP1A2CYP2A6TSHRTDP2NSD2

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-9556211-B2 Metal complex compound, hydrogen production catalyst and hydrogenation reaction catalyst each comprising the metal complex compound, and hydrogen production method and hydrogenation method each using the catalyst NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2017-01-31 US disclosed
EP-2644611-A1 METAL COMPLEX COMPOUND, HYDROGEN PRODUCTION CATALYST AND HYDROGENATION REACTION CATALYST EACH COMPRISING THE METAL COMPLEX COMPOUND, AND HYDROGEN PRODUCTION METHOD AND HYDROGENATION METHOD EACH USING THE CATALYST National University Corporation Okayama University (JP) 2013-10-02 EP disclosed
US-20130244865-A1 Metal Complex Compound, Hydrogen Production Catalyst and Hydrogenation Reaction Catalyst Each Comprising the Metal Complex Compound, and Hydrogen Production Method and Hydrogenation Method Each Using the Catalyst NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2013-09-19 US disclosed
US-20130126090-A1 POLY(METH)ACRYLATE-BASED PRESSURE-SENSITIVE ADHESIVE TESA SE (DE) 2013-05-23 US disclosed
US-20060057366-A1 Poly(meth) acrylate-based pressure-sensitive adhesive TESA SE (DE) 2006-03-16 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 (1 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-20130244865-A1 Metal Complex Compound, Hydrogen Production Catalyst and Hydrogenation Reaction Catalyst Each Comprising the Metal Complex Compound, and Hydrogen Production Method and Hydrogenation Method Each Using the Catalyst MC3R, HRH3, ME3 CYP1A2 2829/4885CYP2A6 3983/4885TSHR 97/4885

“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.