SCHEMBL1186786

SCHEMBL1186786

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c4c(c5cc(N6CCOCC6)c(OC)cc5c3O2)-c2ccc(-c3ccccc3C(F)(F)F)cc2C4(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
LMNA P02545 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
AGER Q15109 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL18102181 0.96 S1PR1 (0.34) S1PR1LMNAALOX15TSHRHSD17B10
SCHEMBL31337373 0.96 S1PR1 (0.34) S1PR1LMNAALOX15TSHRHSD17B10
SCHEMBL1188243 0.95 ALDH1A1 (0.31) S1PR1HSD17B10ALDH1A1KDM4E
SCHEMBL18099432 0.91 S1PR1 (0.34) S1PR1LMNAALOX15TSHRHSD17B10
SCHEMBL18102121 0.91 S1PR1 (0.34) S1PR1LMNAALOX15TSHRHSD17B10
SCHEMBL8510586 0.90 MCHR1 (0.33) S1PR1LMNAALOX15TSHRHSD17B10
SCHEMBL18102197 0.90 TNIK (0.34) S1PR1LMNAALDH1A1KDM4ETDP1
SCHEMBL25606356 0.90 PRKDC (0.35) LMNATSHRHSD17B10ALDH1A1TP53
SCHEMBL1187001 0.90 PDK2 (0.33) L3MBTL1
SCHEMBL25605285 0.89 LMNA (0.35) S1PR1LMNAALDH1A1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9465234-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2016-10-11 US disclosed
US-20150301357-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2015-10-22 US disclosed
US-9097916-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-08-04 US disclosed
US-20140225049-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-08-14 US disclosed
US-8741188-B2 Ophthalmic devices comprising photochromic materials having extended pi-conjugated systems JOHNSON & JOHNSON VISION CARE, INC. (US) 2014-06-03 US disclosed
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME JOHNSON & JOHNSON VISION CARE, INC. 2013-03-14 US disclosed
US-8388872-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC. (US) 2013-03-05 US disclosed
US-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2012-06-14 US disclosed
US-8158037-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same JOHNSON & JOHNSON VISION CARE, INC. (US) 2012-04-17 US disclosed
US-8147725-B2 Photochromic materials having extended pi-conjugated systems and compositions and articles including the same TRANSITIONS OPTICAL, INC (US) 2012-04-03 US disclosed
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME TRANSITIONS OPTICAL, INC. (US) 2011-02-24 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-20120145975-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INTS6, INCENP S1PR1 4765/4885LMNA 857/4885ALOX15 2914/4885
US-20130065056-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME INCENP, INTS6, IPO4 S1PR1 4715/4885LMNA 899/4885ALOX15 2287/4885
US-20110042629-A1 PHOTOCHROMIC MATERIALS HAVING EXTENDED PI-CONJUGATED SYSTEMS AND COMPOSITIONS AND ARTICLES INCLUDING THE SAME IPO4, INCENP, IPO11 S1PR1 4751/4885LMNA 1004/4885ALOX15 2898/4885

“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.