SCHEMBL16626112

SCHEMBL16626112

O=C(O)c1ccc(C(F)(F)C(F)(F)c2ccc(C(=O)O)c(C(=O)O)c2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 1/20 0.46
CYP2C19 P33261 1/20 0.46
SORT1 Q99523 11/20 0.45
CES2 O00748 2/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 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
SCHEMBL261962 0.92 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL29405245 0.92 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL7093508 0.92 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL1503424 0.92 HSD17B10 (0.50) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL9578197 0.90 HSD17B10 (0.49) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL9578190 0.90 HSD17B10 (0.49) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL8676346 0.88 HSD17B10 (0.47) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL460066 0.87 KDM4E (0.69) HSD17B10ALDH1A1KDM4EHPGDUSP2
SCHEMBL4261425 0.87 HSD17B10 (0.53) HSD17B10ALDH1A1KDM4EHPGDTDP1
SCHEMBL6373113 0.87 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49222-E1 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2022-09-27 US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 US disclosed
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 WO 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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 HSD17B10 4381/4885ALDH1A1 1452/4885KDM4E 3483/4885

“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.