SCHEMBL1960938

SCHEMBL1960938

CC1(C)c2ccc(NC(=O)c3ccc(O)cc3)cc2-c2c1cc(O)c1cc(C(F)(F)F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 4/20 0.43
SNCA P37840 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CHEK1 O14757 1/20 0.40
XBP1 P17861 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NQO2 P16083 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL18754293 0.92 P2RX1 (0.49) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL1962777 0.89 MAPT (0.42) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL15807048 0.86 CYP26A1 (0.41) MEN1KMT2AMAPTSNCACTDSP1
SCHEMBL8772465 0.85 AKR1C3 (0.37) MEN1KMT2AMAPTRXFP1CYP3A4
SCHEMBL16713281 0.83 SLC6A2 (0.44) MAPTPOLB
SCHEMBL6113895 0.82 PDK2 (0.43) LMNA
SCHEMBL18754258 0.82 P2RX1 (0.45) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL10323482 0.79 SLC6A2 (0.35) MEN1KMT2A
SCHEMBL8772192 0.76 P2RY14 (0.40) MEN1KMT2AMAPTLMNAHDAC3
SCHEMBL1961020 0.76 P2RY14 (0.40) MEN1KMT2AMAPTLMNAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP disclosed
EP-2651913-B1 INDENO-FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL INC (US) 2017-04-19 EP disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
US-9309455-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2016-04-12 US disclosed
EP-2652552-B9 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2016-02-17 EP disclosed
EP-2652552-B1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL INC (US) 2015-09-02 EP disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
US-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 US disclosed
US-8698117-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2014-04-15 US disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
WO-2012082381-A1 INDENO- FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 US disclosed
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL, INC. (US) 2012-05-24 US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20110140056-A1 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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 (3 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-20110140056-A1 Indeno-fused ring compounds CRY2, SQOR, INTS6 MEN1 3740/4885KMT2A 386/4885MAPT 2624/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX MEN1 3110/4885KMT2A 1960/4885MAPT 573/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 MEN1 3740/4885KMT2A 386/4885MAPT 2624/4885

“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.