SCHEMBL2996683

SCHEMBL2996683

Cc1cc(C(=O)C(=O)c2cc(C)sc2C)c(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLA2G10 O15496 2/20 0.40
GSK3B P49841 1/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 1/20 0.38
KDR P35968 2/20 0.37
PSMD14 O00487 1/20 0.37
MMP2 P08253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
DAO P14920 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
SCHEMBL11728556 0.89 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL11848005 0.85 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL248005 0.83 SMN1; SMN2 (0.43) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL287087 0.83 ALDH1A1 (0.57) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL11845297 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL17367390 0.81 PLA2G10 (0.49) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL2039904 0.80 SMN1; SMN2 (0.39) ALDH1A1LMNAMAPK1MAPTGAA
SCHEMBL24745984 0.79 MAPT (0.36) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL13267370 0.78 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL9593096 0.78 PLA2G10 (0.39) ALDH1A1LMNAMAPK1NPC1RAB9A

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
US-8536205-B2 Photochromic and electrochromic compounds and synthesis and use thereof SWITCH MATERIALS INC. (CA) 2013-09-17 US disclosed
US-8536205-B2 Photochromic and electrochromic compounds and synthesis and use thereof SWITCH MATERIALS INC. (CA) 2013-09-17 US disclosed
US-8536205-B2 Photochromic and electrochromic compounds and synthesis and use thereof SWITCH MATERIALS INC. (CA) 2013-09-17 US disclosed
US-20100190868-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF SWITCH MATERIALS INC. (CA) 2010-07-29 US disclosed
US-20100190868-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF SWITCH MATERIALS INC. (CA) 2010-07-29 US disclosed
US-20100190868-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF SWITCH MATERIALS INC. (CA) 2010-07-29 US disclosed
EP-1888553-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF Switch Materials Inc. (CA) 2008-02-20 EP disclosed
WO-2006125317-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF SWITCH MATERIALS INC. (CA) 2006-11-30 WO 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 (1 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-20100190868-A1 PHOTOCHROMIC AND ELECTROCHROMIC COMPOUNDS AND SYNTHESIS AND USE THEREOF HCN2, HCN1, SCO2 ALDH1A1 488/4885LMNA 1079/4885MAPK1 2739/4885

“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.