SCHEMBL4742371

SCHEMBL4742371

CCCC[Sn](CCCC)(CCCC)c1cnc(Oc2ccc(OC)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
ACACB O00763 7/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
LTA4H P09960 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL5420161 0.88 LTA4H (0.50) LMNAMAPTKMT2AACACBLTA4H
SCHEMBL4689808 0.85 ACACB (0.47) CYP2C19CYP2C9ACACBACACA
SCHEMBL424664 0.84 SLC6A3 (0.32)
SCHEMBL2226640 0.82 SMN1; SMN2 (0.45) LMNAMAPTCASP3SENP8SENP7
SCHEMBL1763533 0.77
SCHEMBL11294003 0.71 APP (0.54) LMNAMAPTMEN1KMT2ACYP2C19
SCHEMBL1356366 0.71 SSTR3 (0.43) LMNAMAPTKMT2ACYP2C19CYP2C9
SCHEMBL1356295 0.71 CASP3 (0.33) MAPTMEN1KMT2ACASP3SENP8
SCHEMBL25372626 0.70 MAPK10 (0.31) SMN1; SMN2
SCHEMBL1097013 0.70 CA1 (0.44) MAPTCASP3SENP8SENP7SENP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735595-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-05-27 US disclosed
EP-1991536-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-11-19 EP disclosed
US-20070219251-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-20 US disclosed
WO-2007095603-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO 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 (1 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-20070219251-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 LMNA 3405/4885MAPT 2143/4885MEN1 3880/4885

“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.