SCHEMBL16626286

SCHEMBL16626286

O=C1OC(=O)c2cc(-c3ccc(C(F)(F)C(F)(F)c4ccc5c(c4)C(=O)OC5=O)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.40
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
APAF1 O14727 1/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
PTBP1 P26599 1/20 0.36
HTT P42858 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL16626282 0.97 TDP2 (0.42) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL16626117 0.89 ALOX15 (0.46) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL16626285 0.89 KIF11 (0.44) TDP2ALDH1A1ALOX15TDP1KIF11
SCHEMBL16626129 0.86 TDP1 (0.45) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL14252248 0.86 TDP2 (0.53) TDP2ALDH1A1MEN1KMT2AMAPT
SCHEMBL16626283 0.83 ALDH1A1 (0.38) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL17192488 0.82 ALOX15 (0.55) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL15641977 0.82 ALOX15 (0.55) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL308376 0.82 ALOX15 (0.55) TDP2ALDH1A1ALOX15TDP1NPC1
SCHEMBL29366467 0.82 ALOX15 (0.55) TDP2ALDH1A1ALOX15TDP1NPC1

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 3877/4885ALDH1A1 1452/4885ALOX15 1473/4885

“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.