SCHEMBL3206273

SCHEMBL3206273

CCc1cccc(CNCCC(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.47
S1PR1 P21453 3/20 0.44
S1PR3 Q99500 2/20 0.44
S1PR2 O95136 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FOLH1 Q04609 2/20 0.43
NOS2 P35228 1/20 0.43
BCL2 P10415 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
MME P08473 1/20 0.41
HDAC4 P56524 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
SCHEMBL3199837 0.88 S1PR1 (0.49) S1PR5S1PR1S1PR3S1PR2MEN1
SCHEMBL28651155 0.86 CD274 (0.49) MEN1KMT2AKDM4EALDH1A1NOS2
SCHEMBL3210964 0.86 MTNR1A (0.48) S1PR5S1PR1S1PR3KMT2AKDM4E
SCHEMBL3195916 0.84 KDM4E (0.51) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL3209336 0.83 S1PR1 (0.56) S1PR1S1PR3S1PR2MEN1KMT2A
SCHEMBL3197343 0.82 SLC2A4 (0.53) KMT2AKDM4EFOLH1MAPTHDAC6
SCHEMBL3197436 0.81 SMN1; SMN2 (0.64) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2224632 0.81 MEN1 (0.64) S1PR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5939922 0.81 FFAR1 (0.59) MEN1KMT2AKDM4EALDH1A1FOLH1
SCHEMBL5474619 0.81 NAMPT (0.47) MEN1KMT2AALDH1A1FOLH1HDAC3

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 S1PR5 4239/4885S1PR1 4285/4885S1PR3 4277/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 S1PR5 4460/4885S1PR1 3861/4885S1PR3 4262/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 S1PR5 4323/4885S1PR1 4221/4885S1PR3 4332/4885

“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.