SCHEMBL186133

SCHEMBL186133

O=C(O)Oc1ccc(F)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
PKM P14618 1/20 0.42
KEAP1 Q14145 1/20 0.37
TTR P02766 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
DHFR P00374 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
HMGB1 P09429 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL17374933 0.82 PIM1 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL14829704 0.82 CES2 (0.47) PKMKDM4EMEN1LMNAHPGD
SCHEMBL27783485 0.79 CA12 (0.48) CA9CA14KEAP1ALDH1A1MEN1
SCHEMBL9445003 0.78 RAB9A (0.44) PKMALDH1A1KDM4EMEN1LMNA
SCHEMBL28396688 0.78 MRGPRX4 (0.49) PKMALDH1A1KMT2A
SCHEMBL9444987 0.78 PKM (0.62) PKMKEAP1ALDH1A1KDM4ELMNA
SCHEMBL27757322 0.78 ALOX15 (0.47) CA3CA6CA5ACA9CA14
SCHEMBL5193789 0.76 CSNK2A1 (0.47) CA9ALDH1A1CA1CA2LMNA
SCHEMBL29018867 0.76 MAPT (0.52) PKMTTRALDH1A1KDM4EMEN1
SCHEMBL5693506 0.76 TTR (0.53) TTRALDH1A1CA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021117710-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND ELECTRONIC DEVICE 出光興産株式会社 2021-06-17 WO disclosed
WO-2020235558-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND, AND ELECTRONIC APPLIANCE 出光興産株式会社 (JP) 2020-11-26 WO disclosed
WO-2020122118-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2020-06-18 WO disclosed
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 CA3 1256/4885CA6 1846/4885CA5A 2913/4885

“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.