SCHEMBL4793553

SCHEMBL4793553

OC=CCC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
EPHX1 P07099 2/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX5 P09917 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4793565 0.97
SCHEMBL8764248 0.86
SCHEMBL29860701 0.80 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28216071 0.78 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL548442 0.78
SCHEMBL6986477 0.77 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL12484994 0.77 CA1 (0.31)
SCHEMBL10768135 0.77 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL12484992 0.77 CA1 (0.31)
SCHEMBL10596506 0.77 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7

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 20 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 claimed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US claimed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US claimed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US claimed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
JP-6206836-A None JP disclosed
JP-6184019-A None JP disclosed
WO-2018036848-A1 VINYLATION WITH ACETYLENE IN THE PRESENCE OF WATER BASF SE (DE) 2018-03-01 WO 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
JP-H06206836-A FLUOROALKYLCYCLOHEXANE DERIVATIVE DAINIPPON INK & CHEM INC 1994-07-26 JP disclosed
JP-H06184019-A FLUOROALKYLCYCLOHEXANE DERIVATIVE DAINIPPON INK & CHEM INC 1994-07-05 JP disclosed
CN-1060290-A The asymmetric Epoxidation method of chiral hydroperoxide ARCO CHEM TECH (US) 1992-04-15 CN 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 ADH1B 2147/4885ADH1C 3083/4885ADH1A 2138/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ADH1B 1604/4885ADH1C 1212/4885ADH1A 729/4885

“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.