SCHEMBL616625

SCHEMBL616625

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.39
CYP11B2 P19099 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 5/20 0.38
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL283726 0.79 CYP19A1 (0.42) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL5943437 0.72 ESR1 (0.50) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL11663664 0.69 NFE2L2 (0.39) CYP19A1CYP11B2ALDH1A1
SCHEMBL283727 0.68 CYP19A1 (0.59) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL11694840 0.67 ESR1 (0.59) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL619504 0.65 SNCA (0.32) ESR1ALDH1A1
SCHEMBL4599993 0.65 CYP19A1 (0.48) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL935197 0.64 ALDH1A1 (0.48) TDP1ALDH1A1CYP2C19L3MBTL1
SCHEMBL55433 0.64 ESR1 (0.74) CYP19A1CYP11B2TDP1PTGS2ESR1
SCHEMBL4612468 0.64 CYP19A1 (0.52) CYP19A1CYP11B2TDP1PTGS2ESR1

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 CYP19A1 3916/4885CYP11B2 3231/4885TDP1 4839/4885

“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.