SCHEMBL3779996

SCHEMBL3779996

Nc1cc(C2OCCCO2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 4/20 0.38
ALOX15 P16050 3/20 0.38
ALOX12 P18054 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 2/20 0.36
PTPN1 P18031 1/20 0.36
GAA P10253 7/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
RECQL P46063 2/20 0.35
PKM P14618 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL242386 0.93 DRD3 (0.47) DRD3ALDH1A1HSD17B10ALOX15ALOX12
SCHEMBL14086413 0.86 CYP3A4 (0.41) DRD3ALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL4434740 0.76 DRD3 (0.51) DRD3ALDH1A1HSD17B10ALOX15ALOX12
SCHEMBL17320655 0.75 ALOX5 (0.55) ALDH1A1HSD17B10ALOX15HPGDSMN1; SMN2
SCHEMBL29664322 0.75 PPARG (0.60) ALDH1A1ALOX5PTPN1GAAMEN1
SCHEMBL7388541 0.74 DRD3 (0.50) DRD3ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL9451018 0.73 MEN1 (0.41) ALDH1A1SMN1; SMN2MAPK1MAPTMEN1
SCHEMBL6236362 0.72 MEN1 (0.36) ALDH1A1HSD17B10ALOX15GAAMAPT
SCHEMBL3140395 0.72 MAPT (0.51) ALDH1A1HSD17B10ALOX15HPGDMAPT
SCHEMBL3784361 0.72 MAPK1 (0.47) ALDH1A1HSD17B10ALOX15HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119947718-A Tricyclic aryl derivatives, and compositions and methods thereof 昂胜医疗科技公司 2025-05-06 CN disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 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-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B DRD3 3275/4885ALDH1A1 3016/4885HSD17B10 823/4885

“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.