SCHEMBL1501547

SCHEMBL1501547

CCOc1cc(C(=O)OC(C)(C)C)cc(OCC)c1-c1ccc(C(=O)OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
EGFR P00533 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR1 P21453 1/20 0.39
SSTR5 P35346 3/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL12761388 0.84 EGFR (0.57) CREBBPEGFRCA1CA2TSHR
SCHEMBL1501518 0.84 TSHR (0.56) CREBBPTSHRMAPK1MAPTKMT2A
SCHEMBL1501800 0.83 S1PR1 (0.50) CREBBPTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL7927917 0.77 ALDH1A1 (0.50) CREBBPTSHRMAPK1MAPTSMN1; SMN2
SCHEMBL12761490 0.77 CREBBP (0.44) CREBBPEGFRCA1CA2TSHR
SCHEMBL7346788 0.77 CA1 (0.59) CA12CA1CA2CA9CA14
SCHEMBL31238840 0.76 CNR2 (0.56) CA12CA1CA2CA9CA14
SCHEMBL10401303 0.75 TSHR (0.44) CREBBPCA12CA1CA2CA9
SCHEMBL733017 0.75 TSHR (0.42) CREBBPTSHRMAPK1MAPTCYP3A4
SCHEMBL23143981 0.74 CREBBP (0.47) CREBBPTSHRMAPK1MAPTKMT2A

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
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
US-8524730-B2 Spirochromanone carboxylic acids MSD K.K. (JP) 2013-09-03 US disclosed
EP-2307422-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS Banyu Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
WO-2010002010-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-01-07 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-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS CNKSR1, CBR1, CBR3 CREBBP 2380/4885EGFR 2603/4885CA12 3034/4885

“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.