SCHEMBL16626282

SCHEMBL16626282

O=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc(-c5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.42
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
XBP1 P17861 1/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL16626286 0.97 TDP2 (0.40) TDP2ALOX15TDP1ALDH1A1MEN1
SCHEMBL14252248 0.89 TDP2 (0.53) TDP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16626285 0.85 KIF11 (0.44) TDP2ALOX15TDP1ALDH1A1KIF11
SCHEMBL16626117 0.85 ALOX15 (0.46) TDP2ALOX15TDP1ALDH1A1NPC1
SCHEMBL29366467 0.84 ALOX15 (0.55) TDP2ALOX15TDP1ALDH1A1MEN1
SCHEMBL15641977 0.84 ALOX15 (0.55) TDP2ALOX15TDP1ALDH1A1MEN1
SCHEMBL17192488 0.84 ALOX15 (0.55) TDP2ALOX15TDP1ALDH1A1MEN1
SCHEMBL308376 0.84 ALOX15 (0.55) TDP2ALOX15TDP1ALDH1A1MEN1
SCHEMBL169305 0.82 ALOX15 (0.57) TDP2ALOX15TDP1ALDH1A1MEN1
SCHEMBL741462 0.82 ALOX15 (0.57) TDP2ALOX15TDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP2 3877/4885ALOX15 1473/4885TDP1 3957/4885

“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.