SCHEMBL3342492

SCHEMBL3342492

O=C(OCC(F)(F)F)c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
ALOX15 P16050 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
KDM4E B2RXH2 3/20 0.45
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL2003037 0.89 TSHR (0.55) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL23484459 0.85 TDP1 (0.65) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL9247458 0.82 ADRB2 (0.50) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL8567872 0.82 ALDH1A1 (0.59) TDP1TSHRALDH1A1NPC1KMT2A
SCHEMBL8442126 0.82 TDP1 (0.61) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL8341763 0.82 TDP1 (0.61) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL23484567 0.82 TDP1 (0.61) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL5710092 0.82 TDP1 (0.61) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL10397449 0.81 TDP1 (0.69) TDP1LMNATSHRALDH1A1NPC1
SCHEMBL23484313 0.81 TDP1 (0.59) TDP1LMNATSHRALDH1A1NPC1

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
EP-1858503-B1 TOPICAL GELS COMPOSITIONS GREEN MONIQUE RENATA (US) 2013-09-04 EP disclosed
US-20100158993-A1 Topical Gel Compositions ISW GROUP, INC. (US) 2010-06-24 US disclosed
EP-1858503-A1 TOPICAL GELS COMPOSITIONS ISW Group Inc. (US) 2007-11-28 EP disclosed
US-20070053984-A1 Topical gels compositions SPANN-WADE MONIQUE 2007-03-08 US disclosed
WO-2006096360-A1 TOPICAL GELS COMPOSITIONS ISW GROUP, INC. (US) 2006-09-14 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 (2 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-20070053984-A1 Topical gels compositions PTGES, PTGER1, S100A8 TDP1 860/4885LMNA 1759/4885TSHR 4872/4885
US-20100158993-A1 Topical Gel Compositions PTGES, PTGER1, PTGS1 TDP1 1003/4885LMNA 1733/4885TSHR 4873/4885

“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.