SCHEMBL3199124

SCHEMBL3199124

Cc1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ATM Q13315 1/20 0.56
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
FFAR1 O14842 1/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
KCNK3 O14649 2/20 0.53
KCNK9 Q9NPC2 2/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL16724721 0.94 GAA (0.64) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL12900992 0.91 NPC1 (0.65) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL9951091 0.90 GAA (0.60) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL10661831 0.89 LMNA (0.68) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL9717417 0.88 ITGB3 (0.65) NPC1RAB9AGAASMN1; SMN2KMT2A
SCHEMBL27273483 0.88 LMNA (0.71) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL27823613 0.87 GAA (0.67) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL279941 0.86 RAB9A (0.62) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL27823614 0.84 NPC1 (0.61) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL1753828 0.83 L3MBTL1 (0.71) NPC1RAB9AGAASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
EP-2510786-A1 Substituted Prop-2-in-1-ol and Prop-2-en-1-ol derivatives Bayer CropScience AG (DE) 2012-10-17 EP disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NPC1 3469/4885RAB9A 3240/4885GAA 43/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 NPC1 1049/4885RAB9A 4613/4885GAA 486/4885

“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.