SCHEMBL13507906

SCHEMBL13507906

Cn1c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2c2c3ccccc3c3c4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4n(C)c3c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ ESR1 P03372 4/20 0.39
▸ ESR2 Q92731 4/20 0.39
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34

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
SCHEMBL13508164 0.96 LIMK1 (0.39) LIMK1MAOBHSD11B1IKBKBHTR1D
SCHEMBL13507846 0.95 LIMK1 (0.41) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13507629 0.92 LIMK1 (0.47) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13506847 0.91 RXRA (0.38) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13507633 0.91 MAOB (0.50) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13507734 0.89 LIMK1 (0.44) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13507085 0.88 RXRA (0.41) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13507850 0.88 LIMK1 (0.46) LIMK1MAOBHSD11B1ESR1ESR2
SCHEMBL13508060 0.88 MAOB (0.52) LIMK1MAOBKMT2AKDM4ESMN1; SMN2
SCHEMBL13507032 0.86 NQO2 (0.38) HSD11B1ESR1ESR2IKBKBHTR1D

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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — US disclosed
US-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 — — 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-20100032658-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 LIMK1 222/4885MAOB 446/4885HSD11B1 934/4885

“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.

Send feedback