SCHEMBL3207992

SCHEMBL3207992

CCCOc1cccc(C(=O)NCCC(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
NR1H4 Q96RI1 2/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KAT6A Q92794 1/20 0.57
LMNA P02545 1/20 0.57
SMPD1 P17405 3/20 0.55
HPGD P15428 2/20 0.55
F10 P00742 1/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.54
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 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
SCHEMBL3203062 0.94 GAA (0.62) KMT2ANR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL3190321 0.89 HPGD (0.68) KMT2ANR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL7742636 0.87 GAA (0.65) KMT2ANR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL3187594 0.83 ALDH1A1 (0.62) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3209637 0.83 NPC1 (0.69) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL9951991 0.83 ALDH1A1 (0.62) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL24850053 0.82 KMT2A (0.61) KMT2ANR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL28412237 0.81 HDAC8 (0.63) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13702374 0.80 KMT2A (0.69) KMT2ANR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL11213011 0.80 KMT2A (0.69) KMT2ANR1H4NPC1RAB9ASMN1; SMN2

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
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 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 (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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4332/4885NR1H4 3864/4885NPC1 3469/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 KMT2A 4216/4885NR1H4 2728/4885NPC1 1049/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 KMT2A 4416/4885NR1H4 4144/4885NPC1 3438/4885

“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.