SCHEMBL21933890

SCHEMBL21933890

Nc1ccccc1-c1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 3/20 0.54
PTGS2 P35354 2/20 0.53
PTGS1 P23219 1/20 0.53
CYP1A2 P05177 1/20 0.46
RAB9A P51151 5/20 0.44
MAP4K4 O95819 1/20 0.43
NPC1 O15118 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP8 Q96LD8 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
SCHEMBL395875 0.91 ALDH1A1 (0.65) ALDH1A1L3MBTL1HSD17B10PTGS2PTGS1
Hydrochloric Acid SCHEMBL28121282 0.89 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10PTGS2PTGS1
SCHEMBL11151194 0.86 CYP1A2 (0.60) ALDH1A1L3MBTL1HSD17B10PTGS2PTGS1
SCHEMBL31491188 0.86 CYP1A2 (0.60) ALDH1A1L3MBTL1HSD17B10PTGS2PTGS1
SCHEMBL9862848 0.83 CYP1A2 (0.63) ALDH1A1L3MBTL1HSD17B10PTGS2PTGS1
SCHEMBL27966482 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1HSD17B10PTGS2RAB9A
SCHEMBL21495966 0.82 ALDH1A1 (0.73) ALDH1A1L3MBTL1HSD17B10PTGS2RAB9A
SCHEMBL27336239 0.82 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL24370390 0.81 CYP1A2 (0.70) ALDH1A1L3MBTL1HSD17B10PTGS2PTGS1
SCHEMBL29413803 0.81 ALDH1A1 (0.80) ALDH1A1L3MBTL1HSD17B10PTGS2RAB9A

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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME HEESUNG MATERIAL LTD. (KR) 2020-04-30 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-20200131133-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 ALDH1A1 8/4885L3MBTL1 1245/4885HSD17B10 1074/4885

“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.