SCHEMBL4763681

SCHEMBL4763681

Brc1ccc(C2=CCOCC2)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30

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
SCHEMBL24800721 0.76 PIK3CA (0.33) MEN1KMT2APDCD1CD274PIK3CD
SCHEMBL4774891 0.75 PIK3CD (0.31) PIK3CDPIK3CAAAK1MAPK14
SCHEMBL25094461 0.75 AAK1 (0.35) PDCD1CD274PIK3CDPIK3CAKDM4E
SCHEMBL4772120 0.69 HTR2C (0.46) PIK3CDPIK3CAALDH1A1AAK1MAPK14
SCHEMBL22448135 0.69 MAPK1 (0.51) —
SCHEMBL24130704 0.69 SNCA (0.35) SNCAPDCD1CD274PIK3CDPIK3CA
SCHEMBL22448153 0.67 CYP2A13 (0.35) PDCD1CD274PIK3CDMAPK14
SCHEMBL18006488 0.66 ERBB2 (0.38) —
SCHEMBL197157 0.66 SNCA (0.50) SNCAALOX5MAPTHSD17B10MEN1
SCHEMBL4764267 0.66 MAPK14 (0.48) PDCD1CD274PIK3CDPIK3CAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 SNCA 581/4885ALOX5 3062/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SNCA 1073/4885ALOX5 2914/4885MAPT 3756/4885

“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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