SCHEMBL4921576

SCHEMBL4921576

CCCCCCCC[CH]C(=O)NC(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
ASAH2 Q9NR71 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
EP300 Q09472 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
CETP P11597 1/20 0.41
FAAH O00519 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7906152 0.76 FAAH (0.47) CYP1A2MAPTCYP2C9CYP2C19TP53
SCHEMBL5206485 0.76 MEN1 (0.47) MAPK1ASAH2EP300MEN1KMT2A
SCHEMBL1416049 0.75 EP300 (0.42) CYP1A2MAPTCYP2C9CYP2C19TP53
SCHEMBL1415757 0.74 FAAH (0.47) EP300FAAHCNR1CNR2
SCHEMBL5205427 0.73 MMP1 (0.41) MAPK1MEN1KMT2ATHRBFAAH
SCHEMBL27721682 0.73 ASAH2 (0.66) ASAH2TP53MEN1KMT2ATHRB
SCHEMBL9429318 0.71 MAPT (0.50) CYP1A2MAPTCYP2C9CYP2C19TP53
SCHEMBL10704983 0.70 SLC6A5 (0.49) CYP1A2CYP2C19TP53MEN1KMT2A
SCHEMBL17707230 0.70 TSHR (0.50) CYP1A2MAPTCYP2C9CYP2C19TP53
SCHEMBL159834 0.70 EP300 (0.56) CYP1A2MAPTCYP2C9CYP2C19EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064723-A1 Aminocyclohexane carboxylic acid and its esters, aminocyclohexane derivatives such as aminocyclohexanol, and piperidinecarboxylic acid and its esters, hydroxypiperidine ; applied to human scalp SHISEIDO COMPANY, LTD. (JP) 2008-03-13 US disclosed
EP-1806121-A1 ANTI-GRAYING PREPARATION Shiseido Company, Limited (JP) 2007-07-11 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 (1 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-20080064723-A1 Aminocyclohexane carboxylic acid and its esters, aminocyclohexane derivatives such as aminocyclohexanol, and piperidinecarboxylic acid and its esters, hydroxypiperidine ; applied to human scalp HCAR1, HCAR3, DDC ASAH1 161/4885CYP1A2 692/4885MAPT 3222/4885

“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.