SCHEMBL232176

SCHEMBL232176

Cc1cc(CBr)c(CBr)cc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP7 P55210 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.33
ERBB2 P04626 1/20 0.32
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL5488004 0.88 ALDH1A1 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL3052064 0.87 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL24698734 0.83 ALDH1A1 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL15788770 0.83 ALDH1A1 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL12659938 0.81 CD44 (0.42) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL338590 0.78 TRPA1 (0.32) ALDH1A1TSHR
SCHEMBL10885406 0.77 ALDH1A1 (0.36) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL11847346 0.75 ALDH1A1 (0.39) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL30626567 0.75 ALDH1A1 (0.39) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL24357766 0.75 ALDH1A1 (0.39) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2024-07-04 US disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-01-05 US disclosed
EP-2392555-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME Korea Research Institute of Chemical Technology (KRICT) (KR) 2011-12-07 EP disclosed
WO-2010087655-A2 FULLERENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME 한국화학연구원 (KR) 2010-08-05 WO disclosed
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 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 (2 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-20240217976-A2 COMPOUND AND POLYMER COMPOUND CONTAINING THE COMPOUND RAD51, MDM2, UBE2D3 ALDH1A1 2389/4885CYP1A2 1554/4885ALOX15 615/4885
US-20120004476-A1 Fullerene Derivatives and Organic Electronic Device Comprising the Same SCO2, VDAC2, TRPA1 ALDH1A1 2704/4885CYP1A2 465/4885ALOX15 544/4885

“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.