SCHEMBL22051117

SCHEMBL22051117

Nc1ccc2cc3c(cc2c1)C(c1ccccc1)(c1ccc(-c2ccccc2)cc1)c1cc2cc(N)ccc2cc1O3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
MAPT P10636 6/20 0.37
KDM4E B2RXH2 5/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
OPRK1 P41145 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NPC1 O15118 2/20 0.36
MAOA P21397 1/20 0.34
RAB9A P51151 2/20 0.33

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
SCHEMBL22051115 0.93 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL22050399 0.85 ALDH1A1 (0.40) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL22050411 0.84 HSD17B10 (0.42) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL22050397 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL3471424 0.76 MAPT (0.44) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL30187261 0.76 MAPT (0.44) ALDH1A1HSD17B10CYP3A4ALOX15TDP1
SCHEMBL23307160 0.74
SCHEMBL25858168 0.74 MEN1 (0.39) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL24149737 0.74 BACE1 (0.36) ALDH1A1HSD17B10HIF1AKMT2AMEN1
SCHEMBL25856913 0.74 MEN1 (0.39) KMT2AMEN1MAPTKDM4ELMNA

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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-06-04 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-20200172470-A1 NOVEL (POLY)AMINE COMPOUND, RESIN AND CURED PRODUCT PAM, CBR1, KDM1A ALDH1A1 276/4885HSD17B10 1943/4885CYP3A4 1300/4885

“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.