SCHEMBL13637233

SCHEMBL13637233

Cc1cc2c([nH]1)CCCC2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 1/20 0.36
HTR6 P50406 1/20 0.35
GBA1 P04062 2/20 0.35
CDKN1A P38936 1/20 0.35

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
SCHEMBL12725524 0.80 KDR (0.45) ESR1ESR2DDB1CRBNNOS3
SCHEMBL1004094 0.80 KDR (0.41) ESR1ESR2DDB1CRBNKDR
SCHEMBL2074484 0.78 RAB9A (0.42) KDR
SCHEMBL1004812 0.77 ALDH1A1 (0.39) ESR1ESR2DDB1CRBNKDR
SCHEMBL1003853 0.70 DDB1 (0.44) ESR1ESR2DDB1CRBNHTR6
SCHEMBL12777445 0.70 DDB1 (0.44) ESR1ESR2DDB1CRBNHTR6
SCHEMBL644078 0.70 HTR6 (0.61) ESR1ESR2NOS3NOS1NOS2
SCHEMBL1004824 0.69 ALDH1A1 (0.41) DDB1CRBN
SCHEMBL10906533 0.67 DDB1 (0.46) DDB1CRBNNOS3NOS1NOS2
SCHEMBL19643600 0.67 SIRT1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615572-B2 4,5-substituted pyrazole-3-carboxylic acids/esters/salts; D-amino acid oxidase (DAAO) inhibitors; increase D-Serine level; reduce level of toxic products of D-Serine oxidation; activate N-methyl-D-aspartate NMDA-glutamate receptors; neuropathic agent, schizophrenia, Alzheimer's, anaxia SEPRACOR INC. (US) 2009-11-10 US disclosed
US-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors SEPRACOR INC. (US) 2009-07-02 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-20090170916-A1 Pyrrole and Pyrazole DAAO Inhibitors DDO, DAO, SRR ESR1 1926/4885ESR2 3514/4885DDB1 1689/4885

“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.