SCHEMBL23977356

SCHEMBL23977356

C1=C\C=C/C(Nc2ccccccccc2)=C\C=C/1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.48
ALDH1A1 P00352 9/20 0.46
TDP1 Q9NUW8 7/20 0.46
TSHR P16473 5/20 0.46
ALOX12 P18054 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALOX15 P16050 3/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.46
HTR2B P41595 1/20 0.46
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
AR P10275 1/20 0.41
CYP3A4 P08684 6/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL23685247 0.80 TDP1 (0.52) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL21851206 0.80 TDP1 (0.52) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL21336458 0.77 HSD17B10 (0.42) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL21336464 0.72 HSD17B10 (0.38) HSD17B10ALDH1A1TDP1TSHRALOX12
SCHEMBL22924828 0.70 HPGD (0.46) ALDH1A1TDP1TSHRALOX12MAPK1
SCHEMBL21919764 0.69 HSD17B10 (0.34) HSD17B10ALDH1A1TDP1TSHRALOX12
Diphenylamine SCHEMBL229 0.68 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1TSHRALOX12
Diphenylamine SCHEMBL3003404 0.68 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1TSHRALOX12
Diphenylamine SCHEMBL301493 0.68 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1TSHRALOX12
Diphenylamine SCHEMBL1619083 0.68 HSD17B10 (1.00) HSD17B10ALDH1A1TDP1TSHRALOX12

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
WO-2022149617-A1 COMPOUND LIBRARY 中外製薬株式会社 2022-07-14 WO disclosed
US-20210343946-A1 INFRARED ABSORBERS, INFRARED ABSORBING/BLOCKING FILMS AND PHOTOELECTRIC DEVICES AND ORGANIC SENSORS AND ELECTRONIC DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-11-04 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-20210343946-A1 INFRARED ABSORBERS, INFRARED ABSORBING/BLOCKING FILMS AND PHOTOELECTRIC DEVICES AND ORGANIC SENSORS AND ELECTRONIC DEVICES CRY1, RXFP4, CRY2 HSD17B10 2048/4885ALDH1A1 227/4885TDP1 2757/4885

“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.