SCHEMBL6370340

SCHEMBL6370340

CC(C)(C)OC(=O)c1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
RARB P10826 4/20 0.49
RARG P13631 4/20 0.49
RARA P10276 3/20 0.49
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
SLC7A5 Q01650 1/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
PTPN1 P18031 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42

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
SCHEMBL29912865 1.00 KDM4E (0.56) KDM4ERARBRARGRARAGABRA1
SCHEMBL28852413 0.95 KDM4E (0.51) KDM4ERARBRARGRARAGABRA1
SCHEMBL8390404 0.93 GABRA1 (0.50) KDM4ERARBRARGRARAGABRA1
SCHEMBL1415273 0.86 CES2 (0.55) KDM4EGABRA1GABRG2GABRB3GABRA3
Terephthalic Acid SCHEMBL11412636 0.84 SLC7A5 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23458554 0.84 KMT2A (0.49) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL539749 0.84 CES2 (0.48) KDM4EGABRA1GABRG2GABRB3GABRA3
SCHEMBL25736545 0.84 GABRA1 (0.44) KDM4EGABRA1GABRG2GABRB3GABRA3
SCHEMBL40750 0.84 SLC7A5 (0.56) KDM4ESLC7A5CA1CA2CA12
SCHEMBL30163785 0.84 SLC7A5 (0.56) KDM4ESLC7A5CA1CA2CA12

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
JP-11029528-A None JP disclosed
US-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-24 US disclosed
EP-1445250-A1 NOVEL AMINE DERIVATIVE HAVING HUMAN BETA-TRYPTASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 EP disclosed
JP-H1129528-A PRODUCTION OF T-BUTYL ESTERS OF HYDRO-AROMATIC CARBOXYLIC ACID HONSHU CHEM IND CO LTD 1999-02-02 JP 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-20050043304-A1 Novel amine derivative having human beta-tryptase inhibitory activity and drugs containing the same TPSAB1, TPSB2, TPSD1 KDM4E 1687/4885RARB 3997/4885RARG 4112/4885

“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.