SCHEMBL3761395

SCHEMBL3761395

COc1ccc(-c2ccc(C(=O)O)n2C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 7/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 4/20 0.47
ALOX15 P16050 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP1 P29466 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
ALOX12 P18054 1/20 0.47
CASP7 P55210 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3370216 0.81 BACE1 (0.46) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15643469 0.80 LMNA (1.00) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25260780 0.73 SMN1; SMN2 (0.53) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25253430 0.73 MAPT (0.59) LMNAKDM4EALDH1A1CA1CA2
SCHEMBL14360705 0.73 MAPT (0.50) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29589106 0.72 MAPT (0.57) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2573157 0.71 ALDH1A1 (0.53) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6498233 0.71 KDM4E (0.49) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1494699 0.70 ALDH1A1 (0.55) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2730926 0.70 PHGDH (0.59) LMNAKDM4EALDH1A1HPGDHSD17B10

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR LMNA 3914/4885KDM4E 718/4885ALDH1A1 3391/4885

“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.