SCHEMBL4572736

SCHEMBL4572736

c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
NOTUM Q6P988 1/20 0.40
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ATM Q13315 1/20 0.37
CYP19A1 P11511 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
ESR2 Q92731 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
SCHEMBL24050315 0.98 ALDH1A1 (0.43) ALDH1A1NOTUMCRHBPCRHR2ATM
SCHEMBL26310616 0.95 ALDH1A1 (0.45) ALDH1A1NOTUMCRHBPCRHR2ATM
SCHEMBL14482738 0.91 MAOA (0.43) ALDH1A1NOTUMMAOAESR2ALOX5
SCHEMBL13314076 0.87 ESR1 (0.35) ALDH1A1NOTUMNPC1RAB9AMAPK1
SCHEMBL15975763 0.87 ESR1 (0.35) ALDH1A1NOTUMNPC1RAB9AMAPK1
SCHEMBL27066993 0.86 MAOA (0.43) ALDH1A1NOTUMMAOAESR2ALOX5
SCHEMBL19051081 0.85 MAOA (0.46) ALDH1A1NOTUMATMRAB9AMAOA
SCHEMBL25826093 0.85 MAOA (0.46) ALDH1A1NOTUMATMRAB9AMAOA
SCHEMBL13681168 0.85 ALDH1A1 (0.43) ALDH1A1NOTUMCRHBPCRHR2NPC1
SCHEMBL20209438 0.84 MAOA (0.41) ALDH1A1MAOAESR2CYP3A4TAAR1

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-20080303019-A1 Side Chain-Containing Type Organic Silane Compound, Thin Film Transistor and Method of Producing Thereof SHARP KABUSHIKI KAISHA (JP) 2008-12-11 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-20080303019-A1 Side Chain-Containing Type Organic Silane Compound, Thin Film Transistor and Method of Producing Thereof CBX3, SOS1, AOX1 ALDH1A1 425/4885NOTUM 904/4885CRHBP 4466/4885

“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.