SCHEMBL23278435

SCHEMBL23278435

CNCCc1ccc2c(c1)cc(C(C)(C)CCO)n2CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15099972 0.78 KMT2A (0.37) MAPTTP53HSD17B10KDM4EALDH1A1
SCHEMBL14845738 0.77 NR1I2 (0.39) ALOX15HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1466715 0.77 KDM4E (0.46) MAPTMAPK1HSD17B10KDM4EALDH1A1
SCHEMBL19085813 0.75 KDM4E (0.33) KDM4EALDH1A1POLBCFTR
SCHEMBL19752989 0.74 CNR2 (0.32) KDM4ECFTR
SCHEMBL12745350 0.70 NR1I2 (0.38) KDM4EALDH1A1SMN1; SMN2
SCHEMBL14756847 0.59 MAPT (0.70) MAPTTP53CYP1A2ALOX15TSHR
SCHEMBL1680520 0.59 TAAR1 (0.57) MAPTTP53CYP1A2ALOX15TSHR
Bromide SCHEMBL11276785 0.58 TMEM97 (0.63) MAPTTP53CYP1A2ALOX15TSHR
Hydrochloric Acid SCHEMBL11275421 0.58 MAPT (0.71) MAPTTP53CYP1A2ALOX15TSHR

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-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — 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-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MAPT 4484/4885TP53 3254/4885CYP1A2 2202/4885

“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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