SCHEMBL3209903

SCHEMBL3209903

CCOc1cccc(CC(=O)NCCC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CSNK1D P48730 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CNR2 P34972 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3208574 0.86 CA1 (0.60) SMN1; SMN2CA1CA2MTNR1AMTNR1B
SCHEMBL3203786 0.83 ALDH1A1 (0.58) HPGDATMSMN1; SMN2KMT2ANPC1
SCHEMBL2458898 0.81 PLA2G4B (0.59) HPGDSMN1; SMN2LTB4RLTB4R2ALDH1A1
SCHEMBL3197436 0.81 SMN1; SMN2 (0.64) HPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL3210270 0.80 CYP2D6 (0.56) HPGDSMN1; SMN2CA1CA2CA7
SCHEMBL8277239 0.79 ATM (0.56) HPGDATMSMN1; SMN2KMT2ACA1
SCHEMBL1205963 0.79 FFAR1 (0.61) HPGDSMN1; SMN2
SCHEMBL3190321 0.78 HPGD (0.68) HPGDSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7399183 0.78 ITGB3 (0.56) ATM
SCHEMBL3207999 0.77 ATM (0.58) HPGDATMSMN1; SMN2KMT2ACA1

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 HPGD 1474/4885ATM 416/4885SMN1; SMN2 24/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 HPGD 2394/4885ATM 104/4885SMN1; SMN2 3451/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HPGD 1299/4885ATM 353/4885SMN1; SMN2 29/4885

“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.