SCHEMBL2965778

SCHEMBL2965778

[c]1cc(-c2ccc3ccccc3c2)sc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
GSTP1 P09211 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL2961470 0.82 CYP3A4 (0.36) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11522443 0.74 HSD17B1 (0.57) CYP1A2SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL2956482 0.72 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1TP53
SCHEMBL4404623 0.72 GSTP1 (0.50) CYP1A2SMN1; SMN2ALDH1A1KDM4EHSD17B1
SCHEMBL31388296 0.72 GSTP1 (0.50) CYP1A2SMN1; SMN2ALDH1A1KDM4EHSD17B1
SCHEMBL5148523 0.70 GSTP1 (0.48) CYP1A2SMN1; SMN2ALDH1A1KDM4EHSD17B1
SCHEMBL14190045 0.70 HSD17B1 (0.61) MEN1KMT2AHSD17B1HSD17B2ESR1
SCHEMBL9976851 0.70 GSTP1 (0.48) CYP1A2SMN1; SMN2ALDH1A1KDM4EHSD17B1
SCHEMBL7591652 0.70 GSTP1 (0.48) CYP1A2SMN1; SMN2ALDH1A1KDM4EHSD17B1
SCHEMBL4946140 0.69 ESR1 (0.70) CYP1A2SMN1; SMN2ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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 (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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 CYP1A2 1391/4885SMN1; SMN2 2578/4885ALDH1A1 944/4885

“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.