SCHEMBL3200640

SCHEMBL3200640

C=CCN(CCC(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
PHF8 Q9UPP1 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
KDM4A O75164 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33

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
SCHEMBL3197765 0.83
SCHEMBL3200539 0.82
SCHEMBL3188624 0.82
SCHEMBL4247084 0.81 GABRP (0.42) ALDH1A1TSHRKDM4CPHF8KDM2A
SCHEMBL12464312 0.79 MEN1 (0.32) KMT2AMEN1TSHR
SCHEMBL27038732 0.75 MEN1 (0.33) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL3195705 0.75 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1TSHRKDM4C
SCHEMBL26209746 0.75 TDP1 (0.39) ALDH1A1TSHRSLC6A2SLC6A4BLM
SCHEMBL20198667 0.74 KDM4C (0.37) ALDH1A1KDM4CPHF8KDM2AKDM4A
SCHEMBL12269098 0.74 CAMK2A (0.37) KMT2AMEN1ALDH1A1KDM4CPHF8

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 ABCC4 3380/4885MAPT 2499/4885KMT2A 4332/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 ABCC4 1454/4885MAPT 2324/4885KMT2A 4216/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 ABCC4 3489/4885MAPT 2212/4885KMT2A 4416/4885

“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.