SCHEMBL13063447

SCHEMBL13063447

CC1OC(C)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
PARP1 P09874 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
GAA P10253 1/20 0.31
HTR5A P47898 1/20 0.30

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
SCHEMBL18816780 0.82 MAOA (0.38) MAOAMAOBMEN1KMT2APOLB
SCHEMBL6441866 0.82 MAOA (0.38) MAOAMAOBMEN1KMT2APOLB
SCHEMBL19333348 0.82 MAOA (0.38) MAOAMAOBMEN1KMT2APOLB
SCHEMBL18536392 0.82
SCHEMBL5101353 0.82 MAOA (0.38) MAOAMAOBMEN1KMT2APOLB
SCHEMBL23187870 0.78 MEN1 (0.30) MEN1KMT2AHTR5A
SCHEMBL18469566 0.78
SCHEMBL18816812 0.78 GPR3 (0.40) GPR3
SCHEMBL18816777 0.78 GPR3 (0.40) GPR3
SCHEMBL10262549 0.78 HSP90AA1 (0.33) MAOAMAOBMEN1KMT2A

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
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 US disclosed
EP-2258690-A1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives Syngenta Participations AG (CH) 2010-12-08 EP disclosed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US disclosed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 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-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR GPR3 1729/4885MAOA 225/4885MAOB 150/4885
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 GPR3 887/4885MAOA 1221/4885MAOB 260/4885

“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.