SCHEMBL3108955

SCHEMBL3108955

Cc1cc(CNCC(=O)OC(C)(C)C)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.53
EPHX2 P34913 1/20 0.41
RXRB P28702 2/20 0.39
RXRA P19793 2/20 0.39
MYC P01106 1/20 0.39
RARB P10826 1/20 0.38
PTPRC P08575 2/20 0.38
S1PR1 P21453 1/20 0.37
VSIR Q9H7M9 1/20 0.37
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.36
AVPR2 P30518 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1243790 0.82 ALDH1A1 (0.51) NR1H4EPHX2SMN1; SMN2ATML3MBTL1
SCHEMBL3105102 0.82 ADRB3 (0.42) NR1H4EPHX2MYCPTPRCS1PR1
SCHEMBL3897985 0.81 NR1H4 (0.62) NR1H4EPHX2SMN1; SMN2L3MBTL1
SCHEMBL31019193 0.81 NR1H4 (0.62) NR1H4EPHX2SMN1; SMN2L3MBTL1
SCHEMBL2473815 0.80 NR1H4 (0.47) NR1H4RXRBRXRARARB
SCHEMBL14205020 0.79 KMT2A (0.46) S1PR1SMN1; SMN2ATM
SCHEMBL5038405 0.77 MEP1B (0.60) NR1H4MYCSMN1; SMN2
SCHEMBL734928 0.77 ATM (0.55) PTPRCSMN1; SMN2ATM
SCHEMBL3117970 0.77 S1PR1 (0.35) NR1H4EPHX2MYCS1PR1VSIR
SCHEMBL16355776 0.76 LMNA (0.50) PTPRCS1PR1SMN1; SMN2ATM

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-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 NR1H4 788/4885EPHX2 1950/4885RXRB 1257/4885

“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.