SCHEMBL3321703

SCHEMBL3321703

Nc1ccc(-c2ccc(N)c(Oc3cc(-c4ccc(N)c(O)c4)ccc3N)c2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.71
CYP3A4 P08684 4/20 0.71
ALOX15 P16050 2/20 0.71
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 3/20 0.52
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 2/20 0.42
RAB9A P51151 1/20 0.42
BRD4 O60885 1/20 0.41
APP P05067 2/20 0.41
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7649186 0.88 HSD17B10 (0.55) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL29549758 0.84 CYP3A4 (1.00) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL29365557 0.84 CYP3A4 (1.00) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL23924225 0.84 CYP3A4 (1.00) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL105866 0.84 CYP3A4 (1.00) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
Hydrochloric Acid SCHEMBL8646655 0.82 CYP3A4 (0.94) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL30313807 0.82 ALOX15 (0.94) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
Water SCHEMBL7721550 0.82 CYP3A4 (0.94) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
SCHEMBL20945278 0.82 ALOX15 (0.94) HSD17B10CYP3A4ALOX15ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL6653834 0.82 CYP3A4 (0.94) HSD17B10CYP3A4ALOX15ALDH1A1TDP1

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-20100121020-A1 3.3'-Diamino-5,5'-Diphenyl-4,4'-Biphenyldiol and Raw Material Thereof as Well as Polybenzoxazole NIPPONKAYAKU KABUSHIKIKAISHA (JP) 2010-05-13 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-20100121020-A1 3.3'-Diamino-5,5'-Diphenyl-4,4'-Biphenyldiol and Raw Material Thereof as Well as Polybenzoxazole DDT, DDC, PBRM1 HSD17B10 2679/4885CYP3A4 160/4885ALOX15 3565/4885

“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.