SCHEMBL4773942

SCHEMBL4773942

CCCC[Sn](CCCC)(CCCC)c1cccc(OC(C)OC(C)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
SMPD1 P17405 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CYP2D6 P10635 1/20 0.32
FAAH O00519 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4772400 0.85 POLB (0.35) ALDH1A1ACACBMTNR1AMTNR1B
SCHEMBL4773948 0.77 SMPD1 (0.42) ALDH1A1KMT2ASMPD1PPARGPPARA
SCHEMBL10063818 0.77 MTNR1A (0.45) ALDH1A1KMT2AMTNR1AMTNR1BKDM4E
SCHEMBL1255316 0.74 ACHE (0.41) ALDH1A1MTNR1AMTNR1B
SCHEMBL2392823 0.72 HPGD (0.47) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL11615166 0.71 LMNA (0.61) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL316898 0.70 MTNR1A (0.50) ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL27591868 0.70 HPGD (0.50) KMT2APPARGPPARA
SCHEMBL4769156 0.70 HSD17B10 (0.46) ALDH1A1KMT2ACYP2D6KDM4ESMN1; SMN2
SCHEMBL4771899 0.70 TSHR (0.39) ACACB

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 ALDH1A1 2989/4885KMT2A 1240/4885ACACB 4365/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885KMT2A 1300/4885ACACB 4615/4885

“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.