SCHEMBL1961022

SCHEMBL1961022

CCCCCC1(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(cc(O)c7cc(C(F)(F)F)ccc57)C6(C)C)cc4)cc3)cc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 3/20 0.34
PLG P00747 2/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
DGAT1 O75907 2/20 0.33
TRPA1 O75762 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FSHR P23945 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL2018116 0.89 MAPT (0.36) CNR1CNR2ALDH1A1MAPTSMN1; SMN2
SCHEMBL1962784 0.86 CNR1 (0.38) CNR1CNR2MCHR1FSHRRORC
SCHEMBL1961020 0.82 P2RY14 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL8772192 0.82 P2RY14 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL6113620 0.79 P2RY14 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL6113618 0.79 P2RY14 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL6113741 0.76 CNR1 (0.34) CNR1CNR2ALDH1A1MAPTMEN1
SCHEMBL1960938 0.76 MEN1 (0.44) MAPTMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL18754293 0.74 P2RX1 (0.49) MAPTMEN1KMT2ATRPA1FSHR
SCHEMBL2018115 0.71 P2RY14 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1CYP3A4

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 8 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
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
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 CNR1 1095/4885CNR2 218/4885ALDH1A1 498/4885
US-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX CNR1 1788/4885CNR2 1214/4885ALDH1A1 1243/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 CNR1 1095/4885CNR2 218/4885ALDH1A1 498/4885

“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.