SCHEMBL12038291

SCHEMBL12038291

CC(C)(C)C(=O)Oc1c(Cl)cc2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOB P27338 2/20 0.34
▸ USP2 O75604 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAOA P21397 1/20 0.31

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
SCHEMBL12038299 0.87 MEN1 (0.39) MEN1KMT2AMAOBUSP2POLB
SCHEMBL12038292 0.86 MAOB (0.37) MEN1KMT2AMAOBUSP2POLB
SCHEMBL12038296 0.82 MAOB (0.37) MEN1KMT2AMAOBUSP2POLB
SCHEMBL12038326 0.79 MEN1 (0.33) MEN1KMT2AMAOBPOLBGPR35
SCHEMBL21316425 0.76 MEN1 (0.35) MEN1KMT2AMAOBPOLBHPGD
SCHEMBL21316426 0.76 MEN1 (0.34) MEN1KMT2AMAOBPOLBHPGD
SCHEMBL13494176 0.75 GPR35 (0.39) MEN1KMT2AMAOBUSP2POLB
SCHEMBL12057031 0.75 CA12 (0.38) MEN1KMT2AHPGDCASP1CASP7
SCHEMBL12038311 0.75 CA12 (0.38) MEN1KMT2AHPGDCASP1CASP7
SCHEMBL12057517 0.75 CA12 (0.38) MEN1KMT2AHPGDCASP1CASP7

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-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 — — US disclosed
US-8318953-B2 Reactive coumarin derivatives and their use in cellular analyses AAT BIOQUEST, INC. (US) 2012-11-27 — — US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 — — US disclosed
US-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES AAT BIOQUEST, INC. (US) 2011-12-29 — — US 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-20110318772-A1 REACTIVE COUMARIN DERIVATIVES AND THEIR USE IN CELLULAR ANALYSES CYP3A7, XPO7, HCCS MEN1 3357/4885KMT2A 4772/4885MAOB 3197/4885

“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.

Send feedback