SCHEMBL187016

SCHEMBL187016

O=C(O)Oc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP2C19 P33261 2/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PTGDR2 Q9Y5Y4 6/20 0.43
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
BACE1 P56817 1/20 0.41
HTT P42858 2/20 0.41
CES2 O00748 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 2/20 0.39

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
SCHEMBL24436827 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL8910744 0.82 TDP1 (0.52) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL29208549 0.80 KMT2A (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL27757330 0.80 CYP2C19 (0.46) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL7171125 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL1331644 0.76 L3MBTL1 (0.47) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL10193649 0.76 MEN1 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL186133 0.76 CA3 (0.45) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL25836655 0.75 MEN1 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL27783485 0.75 CA12 (0.48) ALDH1A1USP2KMT2AMEN1CES2

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-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
EP-2402351-B1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 KDM4E 4112/4885ALDH1A1 1476/4885HPGD 3961/4885

“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.