SCHEMBL619504

SCHEMBL619504

[c]1cc[c]c(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.32
ESR1 P03372 1/20 0.31
CES2 O00748 2/20 0.30
CES1 P23141 2/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
C1S P09871 1/20 0.30
PRSS3 P35030 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
DAO P14920 1/20 0.30
TSHR P16473 1/20 0.30
NAPRT Q6XQN6 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL935197 0.78 ALDH1A1 (0.48) CES2CES1RECQLKMT2ADAO
SCHEMBL2930277 0.77 SNCA (0.34) SNCAESR1CES2CES1RECQL
SCHEMBL27887423 0.74 SNCA (0.35) SNCAESR1CES2CES1PRSS1
SCHEMBL618856 0.71 CES1 (0.39) SNCAESR1CES2CES1PRSS1
Benzene SCHEMBL28326432 0.69 CES1 (0.53) SNCAESR1CES2CES1RECQL
SCHEMBL67982 0.69 CES1 (0.53) SNCAESR1CES2CES1RECQL
SCHEMBL1518068 0.67
SCHEMBL5456363 0.67 HSD17B10 (0.43) PRSS1KMT2ATSHRALDH1A1
SCHEMBL28643562 0.67 CES1 (0.50) SNCAESR1CES2CES1RECQL
SCHEMBL29707474 0.67 CES1 (0.50) SNCAESR1CES2CES1RECQL

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
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC SNCA 1946/4885ESR1 1525/4885CES2 4475/4885

“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.