SCHEMBL13027126

SCHEMBL13027126

COCCOCCNC(=O)CCCCCCC(C)CCCCC(C)CCCCCCC(=O)NOCCOC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GLP1R P43220 8/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ LPAR1 Q92633 1/20 0.35
▸ LPAR2 Q9HBW0 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL12013656 0.92 TSHR (0.50) HPGDSMN1; SMN2HTTTSHRGLP1R
SCHEMBL4828881 0.88 TSHR (0.58) HPGDSMN1; SMN2HTTTSHRGLP1R
SCHEMBL13640847 0.80 HPGD (0.43) HPGDSMN1; SMN2HTTTSHRGLP1R
SCHEMBL13640968 0.80 GLP1R (0.47) HPGDSMN1; SMN2HTTTSHRGLP1R
SCHEMBL4270058 0.80 CNR1 (0.44) HPGDTSHRGLP1RMEN1KMT2A
SCHEMBL4264199 0.80 TSHR (0.69) HPGDSMN1; SMN2HTTTSHRALDH1A1
SCHEMBL12090657 0.80 TSHR (0.69) HPGDSMN1; SMN2HTTTSHRALDH1A1
SCHEMBL25108952 0.79 TSHR (0.62) HPGDSMN1; SMN2HTTTSHRALDH1A1
SCHEMBL25108979 0.79 TSHR (0.62) HPGDSMN1; SMN2HTTTSHRALDH1A1
SCHEMBL25108941 0.79 TSHR (0.62) HPGDSMN1; SMN2HTTTSHRALDH1A1

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-20100284956-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2010-11-11 — — US disclosed
US-20100284956-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2010-11-11 — — US 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-20100284956-A1 HAIR COSMETIC COMPOSITION ADH1A, ADH1C, H1-0 HPGD 1593/4885SMN1; SMN2 4530/4885HTT 626/4885

“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.

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