SCHEMBL20734682

SCHEMBL20734682

CCSCc1ccc2ccccc2c1-c1c(CSCC)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.50
CYP2C19 P33261 4/20 0.50
CYP2C9 P11712 3/20 0.50
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 1/20 0.37
CYP2D6 P10635 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22342261 0.81 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL7520769 0.81 CYP1A2 (0.77) CYP1A2CYP2C19CYP2C9ALDH1A1TDP1
SCHEMBL22341329 0.79 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL8553919 0.74 MAPT (0.40) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL20734670 0.74 CYP1A2 (0.43) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL22341328 0.74 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL8560261 0.73 MAPT (0.39) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL3069772 0.73 CYP1A2 (0.44) CYP1A2CYP2C19CYP2C9MAPTALDH1A1
SCHEMBL12854049 0.71 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL8050013 0.71 HSD17B10 (0.50) CYP1A2CYP2C19CYP2C9MAPTALDH1A1

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-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL SA (ES) 2020-08-13 US disclosed
WO-2019030298-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL, S.A. (ES) 2019-02-14 WO 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-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY KEAP1, NFE2L2, HMOX1 CYP1A2 2291/4885CYP2C19 4101/4885CYP2C9 3408/4885

“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.