SCHEMBL1958041

SCHEMBL1958041

CC1(C)c2cc(O)c3cc(C(F)(F)F)ccc3c2-c2cc(N3CCN(C=O)CC3)cc(Br)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
DRD3 P35462 2/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ADRA2A P08913 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31
ADRA1B P35368 1/20 0.31
P2RY14 Q15391 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL29664191 0.79 MEN1 (0.32) P2RY14HTT
SCHEMBL6113940 0.78 PTGS2 (0.31)
SCHEMBL1962777 0.72 MAPT (0.42) LMNAMAPTHTTNPSR1
SCHEMBL16713281 0.66 SLC6A2 (0.44) MAPTCA12CA2CA9P2RY14
SCHEMBL8772465 0.66 AKR1C3 (0.37) MAPTP2RY14SMN1; SMN2
SCHEMBL2014165 0.66 AKR1C3 (0.33)
SCHEMBL1962107 0.66 CYP2C19 (0.42) LMNAHPGDALDH1A1HTTNPSR1
SCHEMBL29664145 0.66 CYP2C19 (0.42) LMNAHPGDALDH1A1HTTNPSR1
SCHEMBL10323482 0.65 SLC6A2 (0.35) P2RY14
SCHEMBL1963833 0.65 ALDH1A1 (0.34) P2RY14ALDH1A1SMN1; SMN2

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
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-8698117-B2 Indeno-fused ring compounds TRANSITIONS OPTICAL, INC. (US) 2014-04-15 US disclosed
EP-2652552-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS Transitions Optical, Inc. (US) 2013-10-23 EP 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
CN-103339123-A Indeno fused ring compounds having photochromic properties TRANSITIONS OPTICAL INC 2013-10-02 CN disclosed
US-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
CN-103328462-A Indeno-fused ring compounds TRANSITIONS OPTICAL INC 2013-09-25 CN 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-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 LMNA 1680/4885HPGD 1877/4885MAPT 2624/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX LMNA 657/4885HPGD 197/4885MAPT 573/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 LMNA 1680/4885HPGD 1877/4885MAPT 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.