SCHEMBL3199837

SCHEMBL3199837

CCCc1cccc(CNCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR2 O95136 1/20 0.49
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
S1PR5 Q9H228 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
FOLH1 Q04609 1/20 0.42
NOS2 P35228 1/20 0.41
TBXA2R P21731 1/20 0.41
KAT6A Q92794 1/20 0.41

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
SCHEMBL3197693 0.89 MTNR1A (0.48) S1PR1S1PR3MTNR1AMTNR1BL3MBTL1
SCHEMBL3206273 0.88 S1PR5 (0.47) S1PR1S1PR3S1PR2KMT2AMEN1
SCHEMBL3197357 0.84 S1PR1 (0.66) S1PR1S1PR3S1PR2L3MBTL1KMT2A
SCHEMBL1206832 0.82 KEAP1 (0.61) L3MBTL1TBXA2R
SCHEMBL3195916 0.81 KDM4E (0.51) KMT2AMEN1KDM4EALDH1A1
SCHEMBL3210964 0.80 MTNR1A (0.48) S1PR1S1PR3MTNR1AMTNR1BKMT2A
SCHEMBL3197343 0.80 SLC2A4 (0.53) KMT2AKDM4ECYP1A2FOLH1
SCHEMBL3208902 0.79 KDM4E (0.54) S1PR1S1PR3L3MBTL1KMT2AMEN1
SCHEMBL28274225 0.79 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19
SCHEMBL3200030 0.79 FFAR1 (0.53) L3MBTL1KMT2AMEN1ALDH1A1

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 S1PR1 4285/4885S1PR3 4277/4885S1PR2 4469/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 S1PR1 3861/4885S1PR3 4262/4885S1PR2 4224/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 S1PR1 4221/4885S1PR3 4332/4885S1PR2 4487/4885

“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.