SCHEMBL2403427

SCHEMBL2403427

CC(C)c1cc(C(C)C)c(C(=O)O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
EIF4A3 P38919 7/20 0.39
ACE2 Q9BYF1 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
ALKBH5 Q6P6C2 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
SCHEMBL3579630 0.80 FABP3 (0.42) HCAR3HCAR2FABP3FABP4EIF4A3
SCHEMBL2404221 0.79 CYP1A2 (0.36) HCAR3HCAR2
SCHEMBL2404909 0.76 MEN1 (0.47)
SCHEMBL12848714 0.67 LMNA (0.33) GABRA1GABRB1
SCHEMBL14919191 0.67 ALDH1A1 (0.42) HCAR3HCAR2EIF4A3ALKBH5
SCHEMBL18309202 0.64 FABP3 (0.52) FABP3FABP4EIF4A3ACE2GABRA1
SCHEMBL3152040 0.63 ALDH1A1 (0.35) FABP3FABP4EIF4A3
SCHEMBL18309199 0.63 FABP3 (0.50) FABP3FABP4EIF4A3ACE2GABRA1
SCHEMBL12740587 0.63 KDM4E (0.44) HCAR3HCAR2EIF4A3ALKBH5
SCHEMBL16380980 0.62 CASP3 (0.54) EIF4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-8722730-B2 5-membered heterocyclic compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
CN-101821236-B Five-membered heterocyclic compound RES FOUND ITSUU LAB 2013-05-08 CN disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
CN-101821236-A Five-membered heterocyclic compound RES FOUND ITSUU LAB 2010-09-01 CN disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189445-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 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 (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-20110213156-A1 5-MEMBERED HETEROCYCLIC COMPOUND RXRA, RXRG, RXRB HCAR3 84/4885HCAR2 163/4885FABP3 3542/4885

“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.