SCHEMBL12038347

SCHEMBL12038347

CC(=O)Oc1cc(F)c2cc(C(=O)ON3C(=O)CCC3=O)c(=O)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 11/20 0.38
▸ KDM4E B2RXH2 10/20 0.38
▸ GAA P10253 9/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ CASP1 P29466 6/20 0.38
▸ CASP7 P55210 6/20 0.38
▸ HSD17B10 Q99714 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ PGR P06401 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL12038348 0.88 MAOB (0.35) GLAKDM4EGAAALDH1A1HSD17B10
SCHEMBL31114272 0.83 MAOB (0.37) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL12038321 0.80 GAPDH (0.39) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL12038352 0.78 LMNA (0.33) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL12038341 0.77 KDM4E (0.46) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL12038288 0.76 KDM4E (0.49) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL12038371 0.74 LMNA (0.32) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL12038323 0.74 MAOB (0.38) GLAKDM4EGAAALDH1A1HSD17B10
SCHEMBL31114267 0.74 GPR35 (0.44) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL12038326 0.73 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2APOLB

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 GLA 649/4885KDM4E 4529/4885GAA 508/4885

“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.

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