SCHEMBL4769161

SCHEMBL4769161

CC(=O)OCCOc1cccc(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ LMNA P02545 1/20 0.58
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.51
▸ MAOB P27338 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL10030189 0.88 MTNR1A (0.53) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL13883739 0.82 MAOB (0.64) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL24970053 0.82 MTNR1A (0.63) KDM4EALDH1A1LMNAKMT2AMAPK1
SCHEMBL10520935 0.82 CYP3A4 (0.59) KMT2A
SCHEMBL8895204 0.82 L3MBTL1 (0.62) KDM4ELMNAKMT2AMAPK1MAOB
SCHEMBL27591867 0.81 MAOB (0.50) ALDH1A1LMNAKMT2AMAOBMEN1
SCHEMBL11756743 0.81 MAOB (0.59) ALDH1A1KMT2AMAOBMEN1RAB9A
SCHEMBL10030196 0.80 MTNR1A (0.51) KDM4EALDH1A1LMNAKMT2AMAPK1
SCHEMBL4763622 0.80 MEN1 (0.56) KDM4EALDH1A1LMNAKMT2AMAPT
SCHEMBL15386013 0.79 LMNA (0.52) KDM4EALDH1A1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12195490-B2 STRAD-binding agents and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-14 — — US disclosed
WO-2021155004-A1 STRAD-BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 — — WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 — — EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 — — US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 — — US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 — — US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 — — US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 — — US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 — — EP 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 (3 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 KDM4E 1050/4885ALDH1A1 2989/4885LMNA 1057/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 KDM4E 1058/4885ALDH1A1 1071/4885LMNA 1917/4885
US-12195490-B2 STRAD-binding agents and uses thereof STRAP, STRA6, PLAUR KDM4E 3931/4885ALDH1A1 3678/4885LMNA 3633/4885

“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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