SCHEMBL16319198

SCHEMBL16319198

COc1cc(C=C2C(=O)OC(C)(C)OC2=O)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.76
ALDH1A1 P00352 9/20 0.53
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
AMY1A P0DUB6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SIRT1 Q96EB6 3/20 0.44
PAX8 Q06710 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 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
SCHEMBL9197946 0.87 KMT2A (1.00) KMT2AALDH1A1CRHBPCRHR2POLB
SCHEMBL28606256 0.83 KMT2A (0.76) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL16319317 0.80 KMT2A (0.76) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL9247437 0.79 KMT2A (0.70) KMT2AALDH1A1CRHBPCRHR2POLB
SCHEMBL29487159 0.77 ALDH1A1 (0.62) KMT2AALDH1A1HSD17B10CASP1CASP7
SCHEMBL6250003 0.77 ALDH1A1 (0.62) KMT2AALDH1A1HSD17B10CASP1CASP7
SCHEMBL8023568 0.76 KMT2A (0.72) KMT2AALDH1A1
SCHEMBL19607880 0.76 KMT2A (0.72) KMT2AALDH1A1MAPTHTT
SCHEMBL3076077 0.75 KMT2A (0.65) KMT2AALDH1A1CRHBPCRHR2HSD17B10
SCHEMBL2498778 0.72 SIRT1 (0.57) KMT2AALDH1A1CRHBPCRHR2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 KMT2A 2066/4885ALDH1A1 2085/4885CRHBP 1307/4885

“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.