SCHEMBL26770985

SCHEMBL26770985

O=C1Nc2ccccc2OC12CCCCCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ HSD11B1 P28845 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALPL P05186 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ PDE7A Q13946 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CREBBP Q92793 1/20 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
SCHEMBL16163265 0.91 ALOX5 (0.43) ALDH1A1LMNAPOLBMEN1GAA
SCHEMBL15337500 0.85 HSD11B1 (0.40) HSD11B1LMNAPOLBMEN1GAA
SCHEMBL24307262 0.78 MMP12 (0.49) ALDH1A1HSD11B1POLBGAAKMT2A
SCHEMBL24307261 0.76 MMP12 (0.50) ALDH1A1HSD11B1POLBGAAMAPT
SCHEMBL17525047 0.74 HTR7 (0.37) ALDH1A1LMNAPOLBMEN1GAA
SCHEMBL17524989 0.74 OTUD7B (0.37) LMNAPOLBMEN1GAAKMT2A
SCHEMBL24306399 0.74 ALOX5 (0.47) ALDH1A1LMNAPOLBGAAMAPT
SCHEMBL24306751 0.72 MMP12 (0.50) ALDH1A1POLBGAAMAPTHSD17B10
SCHEMBL31693946 0.72 LMNA (0.44) ALDH1A1LMNAPOLBMEN1GAA
SCHEMBL24306808 0.72 ALOX5 (0.48) ALDH1A1LMNAPOLBGAAMAPT

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-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2023-11-16 — — 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-20230365558-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND USE THEREOF CYP3A7, UGT2B7, SFPQ ALDH1A1 1495/4885HSD11B1 440/4885LMNA 3203/4885

“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.

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