SCHEMBL1962777

SCHEMBL1962777

CC1(C)c2cc(O)c3cc(C(F)(F)F)ccc3c2-c2cc(NC(=O)c3ccc(O)cc3)cc(Br)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
XBP1 P17861 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
SNCA P37840 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RXFP1 Q9HBX9 5/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
P2RX1 P51575 2/20 0.38
CHEK1 O14757 1/20 0.38
NQO2 P16083 1/20 0.37

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
SCHEMBL18754258 0.94 P2RX1 (0.45) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL1960938 0.89 MEN1 (0.44) MAPTNPSR1XBP1MEN1KMT2A
SCHEMBL15807047 0.86 NQO2 (0.36) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL29664191 0.83 MEN1 (0.32) MEN1KMT2AHTT
SCHEMBL18754293 0.81 P2RX1 (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6113940 0.77 PTGS2 (0.31)
SCHEMBL15807048 0.76 CYP26A1 (0.41) MAPTMEN1KMT2ASNCACTDSP1
SCHEMBL16713281 0.74 SLC6A2 (0.44) MAPTPOLB
SCHEMBL1958041 0.72 LMNA (0.33) MAPTNPSR1LMNAHTT
SCHEMBL2014165 0.71 AKR1C3 (0.33)

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 21 patents — showing the first 20. 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
CN-103339123-B Indeno fused ring compounds having photochromic properties TRANSITIONS OPTICAL, INC. (US) 2016-11-30 CN 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
EP-2651913-A1 INDENO- FUSED RING COMPOUNDS HAVING PHOTOCHROMIC PROPERTIES Transitions Optical, Inc. (US) 2013-10-23 EP disclosed
CN-103339564-A Photochromic compounds and compositions TRANSITIONS OPTICAL INC 2013-10-02 CN disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
WO-2012082299-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO 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-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 MAPT 2624/4885NPSR1 1989/4885XBP1 3626/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX MAPT 573/4885NPSR1 2887/4885XBP1 3742/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 MAPT 2624/4885NPSR1 1989/4885XBP1 3626/4885

“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.