SCHEMBL20022945

SCHEMBL20022945

BCN1C(=C)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 2/20 0.50
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 5/20 0.49
MAPK1 P28482 2/20 0.49
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
HSP90AA1 P07900 2/20 0.43
MAPT P10636 2/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL20022939 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL24663166 0.80 HTT (0.64) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL14344292 0.75 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL10022041 0.75 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL13528565 0.75 ALDH1A1 (0.84) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL19708133 0.73 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL19020482 0.73 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL14727215 0.73 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL17470589 0.72 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL21729686 0.72 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1RAB9ASMN1; SMN2

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-20180094099-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-04-05 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-20180094099-A1 BOTTLEBRUSH COPOLYMERS AND USES THEREOF TRIB1, TRIB2, ABCB11 ALDH1A1 1610/4885KMT2A 4854/4885MEN1 4342/4885

“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.