SCHEMBL3209768

SCHEMBL3209768

COc1ccc(CCNCCC(=O)O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
CYP19A1 P11511 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
APEX1 P27695 1/20 0.52
KMT2A Q03164 1/20 0.52
ADRB2 P07550 2/20 0.52
DRD2 P14416 2/20 0.52
DRD1 P21728 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51

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
SCHEMBL3204252 0.89 ALOX5 (0.63) GAACYP1A2CYP3A4TSHRNFKB1
SCHEMBL3199002 0.89 CA12 (0.59) MEN1KMT2AADRB2CA12CA1
SCHEMBL3199244 0.87 GAA (0.61) GAACYP19A1CYP1A2CYP3A4TSHR
SCHEMBL490726 0.85 GAA (0.71) GAACYP19A1CYP1A2CYP3A4TSHR
SCHEMBL31337638 0.85 GAA (0.71) GAACYP19A1CYP1A2CYP3A4TSHR
SCHEMBL3207393 0.82 ADRB2 (0.60) GAACYP1A2TSHRNFKB1MEN1
SCHEMBL7410835 0.81 GAA (0.65) GAACYP19A1CYP1A2CYP3A4TSHR
SCHEMBL27160492 0.81 GAA (0.60) GAACYP19A1CYP1A2CYP3A4TSHR
SCHEMBL7331861 0.81 PLAAT3 (0.57) CA12CA1CA2CA9
SCHEMBL27872832 0.79 CYP3A4 (0.55) CYP1A2CYP3A4TSHRNFKB1MEN1

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 GAA 43/4885CYP19A1 3638/4885CYP1A2 3833/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GAA 486/4885CYP19A1 3564/4885CYP1A2 3980/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GAA 40/4885CYP19A1 3356/4885CYP1A2 3658/4885

“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.