SCHEMBL5101705

SCHEMBL5101705

Cc1cc([N+](=O)[O-])cc(C)c1-c1cccc(CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.42
F2R P25116 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2RL3 Q96RI0 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
CRHR2 Q13324 1/20 0.42
CNR2 P34972 1/20 0.42
FFAR1 O14842 1/20 0.42
AR P10275 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL3451644 0.79 PRKCI (0.49) CNR2FFAR1PRKCIHTR7
SCHEMBL1508340 0.79 HTR7 (0.59) CNR2FFAR1PRKCIHTR7
SCHEMBL205233 0.78 CNR2 (0.48) MEN1KMT2ACNR2FFAR1PRKCI
Methyl Alcohol SCHEMBL7363157 0.76 TSHR (0.62) MEN1KMT2AMAPTLMNACYP3A4
SCHEMBL94846 0.76 TSHR (0.67) LMNASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL30036663 0.76 TSHR (0.67) LMNASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL28853922 0.75 FYN (0.46) CNR2FFAR1PRKCIHTR7
Methane SCHEMBL27717284 0.74 TSHR (0.65) LMNASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10490768 0.74 TSHR (0.65) LMNASMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL12640964 0.73 CYP11B1 (0.43) CNR2FFAR1PRKCIHTR7

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-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7456218-B2 3-(4-benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 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-20070149608-A1 3-(4-Benzyloxyphenyl) propanoic acid derivatives GPR119, GPR55, GLP1R MEN1 2224/4885KMT2A 4013/4885MAPT 4257/4885

“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.