SCHEMBL3213481

SCHEMBL3213481

Cc1cccc(CCNCCC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
FFAR4 Q5NUL3 1/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
AKR1C3 P42330 1/20 0.50
CNR1 P21554 1/20 0.49
POLB P06746 2/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL15890906 0.87 HPGD (0.57) KDM4EFFAR1HPGD
SCHEMBL15890979 0.86 S1PR1 (0.61) KMT2AMEN1FFAR1HPGD
SCHEMBL3824386 0.86 HDAC1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3195916 0.86 KDM4E (0.51) NPC1RAB9AFFAR4KMT2AMEN1
SCHEMBL3197693 0.84 MTNR1A (0.48) KMT2AALDH1A1
SCHEMBL3210964 0.84 MTNR1A (0.48) KMT2APOLBALDH1A1KDM4E
SCHEMBL456436 0.83 FFAR4 (0.67) FFAR4KMT2AMEN1THRATHRB
SCHEMBL3199896 0.83 SPR (0.51) HDAC6KMT2AALDH1A1KDM4EFFAR1
Dimethylamine SCHEMBL9871069 0.82 FFAR4 (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL26886105 0.82 ALDH1A1 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 HDAC3 2365/4885HDAC1 3022/4885HDAC2 4333/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 HDAC3 2798/4885HDAC1 2862/4885HDAC2 4429/4885

“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.