SCHEMBL7110440

SCHEMBL7110440

CCCCOC(=O)NN(Cc1ccc(OC)cc1)C(=O)CCOC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.41
TEAD4 Q15561 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX2 P34913 1/20 0.40
NAAA Q02083 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL7110439 0.71 CPB2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8182559 0.67 MAPT (0.60) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16696334 0.66 FAAH (0.56) HPGDALDH1A1GAANPC1RAB9A
SCHEMBL12206163 0.65 SMN1; SMN2 (0.47) HPGDALDH1A1GAANPC1RAB9A
SCHEMBL20871388 0.64 DRD2 (0.50) CYP1A2CYP2D6CYP2C9TSHRSMN1; SMN2
SCHEMBL20870807 0.64 DRD2 (0.47) CYP1A2CYP2D6CYP2C9EPHX2TSHR
SCHEMBL22454181 0.64 NAAA (0.56) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4508109 0.63 ADRB2 (0.48) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29868306 0.63 USP2 (0.59) ALDH1A1TSHRSMN1; SMN2NPSR1
Bicarbonate SCHEMBL6206881 0.63 NAAA (0.50) CYP1A2EPHX2NAAAALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed

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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A YAP1 3828/4885TEAD4 4224/4885HPGD 2041/4885

“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.