SCHEMBL8772291

SCHEMBL8772291

CCCCCC1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(cc(O)c7c(F)ccc(F)c57)C6(C)C)cc4)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
DEGS1 O15121 1/20 0.35
DGAT1 O75907 5/20 0.34
P2RY14 Q15391 1/20 0.34
KDM1A O60341 1/20 0.33
CYP2C9 P11712 1/20 0.33
MCHR1 Q99705 1/20 0.33
SOAT1 P35610 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL1962783 1.00 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL8772192 0.87 P2RY14 (0.40) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL1961020 0.87 P2RY14 (0.40) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL6113620 0.84 P2RY14 (0.40) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL6113618 0.84 P2RY14 (0.40) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL1959761 0.79 ABCC1 (0.34) ALDH1A1LMNAMAPTDGAT1MCHR1
SCHEMBL2013699 0.79 ABCC1 (0.34) ALDH1A1LMNAMAPTDGAT1MCHR1
SCHEMBL2018115 0.79 P2RY14 (0.39) ALDH1A1LMNAMAPTHDAC3HDAC11
SCHEMBL9967382 0.77 CXCR1 (0.33) LMNAMAPTDGAT1MCHR1
SCHEMBL1333746 0.77 CXCR1 (0.33) LMNAMAPTDGAT1MCHR1

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 10 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-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-20140166948-A1 INDENO-FUSED RING COMPOUNDS TRANSITIONS OPTICAL LIMITED (IE) 2014-06-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 ALDH1A1 498/4885LMNA 1680/4885MAPT 2624/4885
US-20120126185-A1 INDENO-FUSED RING COMPOUNDS CRY2, SQOR, INTS6 ALDH1A1 498/4885LMNA 1680/4885MAPT 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.