SCHEMBL29307853

SCHEMBL29307853

COc1cc2c3cc(OC)c(OC)cc3c3c(cc(OC)c4oc(-c5cccs5)nc43)c2cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 7/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ PDE4C Q08493 1/20 0.50
▸ NPC1 O15118 7/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ RPS6KB2 Q9UBS0 2/20 0.47
▸ SMN1; SMN2 Q16637 8/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42

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
SCHEMBL29307772 0.81 ALDH1A1 (0.41) HSD17B10MAPK1PDE4CNPC1RAB9A
SCHEMBL29307843 0.79 NPC1 (0.47) HSD17B10NPC1RAB9AALDH1A1KDM4E
SCHEMBL29307847 0.76 SMN1; SMN2 (0.39) HSD17B10NPC1ALDH1A1KDM4EHPGD
SCHEMBL29307866 0.75 KLK7 (0.58) HSD17B10MEN1KMT2AHTTTSHR
SCHEMBL29307844 0.75 RAC1 (0.47) HSD17B10MAPK1NPC1RAB9AALDH1A1
SCHEMBL29307851 0.75 MAPT (0.46) HSD17B10NPC1RAB9AALDH1A1KDM4E
SCHEMBL29307867 0.75 KLK7 (0.51) HSD17B10NPC1RAB9AALDH1A1KDM4E
SCHEMBL29307903 0.75 MAPT (0.46) MAPK1NPC1RAB9AKDM4EHPGD
SCHEMBL29307849 0.74 ESR1 (0.48) HSD17B10MAPK1NPC1RAB9AALDH1A1
SCHEMBL8068689 0.73 HSD17B10 (1.00) HSD17B10MAPK1PDE4CNPC1RAB9A

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-12041850-B2 Luminescent compounds Chromatwist Limited (GB) 2024-07-16 — — 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-12041850-B2 Luminescent compounds AHR, ARNT, CYCS HSD17B10 2555/4885MAPK1 2744/4885PDE4C 3038/4885

“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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