SCHEMBL24091657

SCHEMBL24091657

C=CCC(CC)(CC)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MYOC Q99972 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CA1 P00915 1/20 0.40

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
SCHEMBL24091750 0.85 HSPB1 (0.51) HSPB1ALDH1A1POLBKMT2AMEN1
SCHEMBL21166650 0.79 MAPT (0.57) ALDH1A1POLBMAPK1CYP3A4TSHR
SCHEMBL15055286 0.77 NPC1 (0.58) HSPB1ALDH1A1POLBPTGS2MAPK1
SCHEMBL23228769 0.76 PARP10 (0.51) ALDH1A1POLBTSHRKMT2ARAB9A
SCHEMBL21656483 0.75 MAPT (0.44) ALDH1A1MAPK1TSHRKMT2AMEN1
SCHEMBL21656587 0.75 HPGD (0.58) ALDH1A1POLBTSHRMAPTRAB9A
SCHEMBL21656579 0.75 CA1 (0.45) POLBTSHRMAPTRAB9ANPC1
SCHEMBL23228794 0.74 HPGD (0.56) ALDH1A1POLBTSHRKMT2AMEN1
SCHEMBL9082994 0.73 HSPB1 (0.59) HSPB1ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL15279922 0.73 HSPB1 (0.59) HSPB1ALDH1A1POLBPTGS2MAPK1

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-20210382038-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-12-09 — — 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-20210382038-A1 METHOD FOR IDENTIFYING MODULATORS OF NOTCH SIGNALING NOTCH3, NOTCH1, NOTCH4 HSPB1 4691/4885ALDH1A1 3224/4885POLB 3703/4885

“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.

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