SCHEMBL4765815

SCHEMBL4765815

COc1ccc(C#Cc2ccccc2)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
ALDH1A1 P00352 5/20 0.46
TRIM24 O15164 1/20 0.45
TYR P14679 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9881727 0.91 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL6358019 0.84 ERN1 (0.46) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL4770355 0.84 ALDH1A1 (0.53) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL30134856 0.81 ALDH1A1 (0.53) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL312237 0.81 ALDH1A1 (0.53) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL7601226 0.81 APP (0.44) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL15895661 0.80 ALDH1A1 (0.49) ERN1ALDH1A1TDP1L3MBTL1CA12
SCHEMBL29857390 0.80 SRC (0.41) ERN1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL28574515 0.80 SRC (0.41) ERN1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL10623779 0.78 APP (0.50) ERN1ALDH1A1CYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810112-B Preparation method of indolo [2,1-a ] phthalazine derivative 华侨大学 2021-03-23 CN 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 (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 ERN1 4206/4885ALDH1A1 2989/4885TRIM24 2550/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ERN1 4000/4885ALDH1A1 1071/4885TRIM24 1393/4885

“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.