SCHEMBL517640

SCHEMBL517640

CCC(C)C(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP2D6 P10635 3/20 0.42
CHRM5 P08912 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
STAT3 P40763 1/20 0.40
POLB P06746 1/20 0.40
ALOX5 P09917 1/20 0.40
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL4921518 0.85 CYP2D6 (0.61) LMNASMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL23872457 0.85 CYP2D6 (0.61) LMNASMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL499471 0.85 CYP2D6 (0.61) LMNASMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL31686418 0.84 FFAR2 (0.49) LMNASMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL27813062 0.81 BACE1 (0.50) LMNASMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL518030 0.81 CHRM2 (0.43) LMNACHRM2CHRM4CHRM1CHRM3
SCHEMBL6884698 0.80 AKR1C3 (0.51) ACHEALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL11315150 0.80 AKR1C3 (0.51) ACHEALDH1A1LMNASMN1; SMN2CYP2D6
SCHEMBL1065181 0.80 AKR1C3 (0.43) ACHEMEN1KMT2ACYP2D6STAT3
Hydrochloric Acid SCHEMBL10918260 0.79 AKR1C3 (0.50) ACHEALDH1A1LMNASMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
EP-0098058-B1 SYNTHESIS OF PHENYLACETIC ACID ESTERS ELI LILLY AND COMPANY (US) 1986-02-19 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 ACHE 1477/4885ALDH1A1 379/4885LMNA 1324/4885
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 ACHE 2555/4885ALDH1A1 625/4885LMNA 588/4885

“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.