SCHEMBL23552017

SCHEMBL23552017

O=Cc1ccc2occc2c1OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7679588 0.79 ALDH1A1 (0.38) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL6195483 0.78 ALDH1A1 (0.40) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL29481836 0.78 ALDH1A1 (0.36) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL21468872 0.78 ALDH1A1 (0.36) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL21468873 0.78 ALDH1A1 (0.36) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL19776273 0.78 ALDH1A1 (0.36) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL19775924 0.78 ALDH1A1 (0.36) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL29481725 0.78 ALDH1A1 (0.36) TDP1ALDH1A1TP53TSHRHIF1A
SCHEMBL19782823 0.73 ADORA3 (0.49) ALDH1A1TSHRCYP3A4KDM4ETHRB
SCHEMBL22179157 0.71 ALDH1A1 (0.44) TDP1ALDH1A1TP53TSHRHIF1A

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-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 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-20210188877-A1 TRICYCLIC HETEROARYL-SUBSTITUTED QUINOLINE AND AZAQUINOLINE COMPOUNDS AS PAR4 INHIBITORS F2RL3, PARP14, F2R TDP1 229/4885ALDH1A1 2558/4885TP53 1211/4885

“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.