SCHEMBL4176757

SCHEMBL4176757

CCCCNC(=O)Nc1ccc(CCCC(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.78
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
EPHX1 P07099 5/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.57
S1PR3 Q99500 2/20 0.56
S1PR2 O95136 1/20 0.56
CNR1 P21554 1/20 0.56
KMT2A Q03164 3/20 0.55
GHSR Q92847 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
NR1H4 Q96RI1 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL7160759 0.88 S1PR1 (0.81) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL176981 0.88 S1PR1 (1.00) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8866863 0.84 S1PR1 (0.63) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23720579 0.84 S1PR1 (0.63) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8866867 0.84 S1PR1 (0.63) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL18862116 0.83 S1PR1 (0.65) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL25401865 0.82 S1PR1 (0.76) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10599703 0.82 MAPT (0.67) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4894039 0.82 EPHX1 (0.68) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6571730 0.80 S1PR1 (0.65) S1PR1ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US claimed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA S1PR1 1301/4885ALDH1A1 1408/4885CYP1A2 808/4885

“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.