SCHEMBL3268749

SCHEMBL3268749

COC(=O)C(CC(=O)O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PTPN1 P18031 1/20 0.38
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL3264549 0.85 ALDH1A1 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL1010516 0.84 TSHR (0.48) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL6382642 0.83 CA1 (0.52) RAB9ANPC1ALDH1A1HPGDCES2
SCHEMBL7324913 0.82 CYP19A1 (0.49) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL7324910 0.82 CYP19A1 (0.49) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL9899633 0.81 SMN1; SMN2 (0.47) RAB9ANPC1MAPK1HTTMAPT
SCHEMBL9899631 0.81 SMN1; SMN2 (0.47) RAB9ANPC1MAPK1HTTMAPT
SCHEMBL3267872 0.80 NPC1 (0.44) RAB9AMEN1KMT2ANPC1MAPK1
SCHEMBL6555908 0.80 CES2 (0.56) RAB9AKMT2ANPC1SMN1; SMN2GAA
SCHEMBL6555910 0.80 CES2 (0.56) RAB9AKMT2ANPC1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101341141-B Photochromic indeno-fused naphthopyrans 光学转变公司 2016-09-28 CN disclosed
EP-1966180-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2015-02-18 EP disclosed
EP-1963896-B1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-02-10 EP disclosed
US-7556751-B2 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
US-7527754-B2 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2009-05-05 US disclosed
EP-1966180-A1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2008-09-10 EP disclosed
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
WO-2007078529-A1 PHOTOCHROMIC INDENO-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2007-07-12 WO disclosed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed
US-20070138448-A1 Photochromic indeno-fused naphthopyrans TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US disclosed
US-20070138449-A1 Photochromic materials having electron-withdrawing substituents TRANSITIONS OPTICAL LIMITED (IE) 2007-06-21 US 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-20070138448-A1 Photochromic indeno-fused naphthopyrans INTS6, IPO4, NQO1 RAB9A 4170/4885MEN1 4527/4885KMT2A 3392/4885

“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.