SCHEMBL3667015

SCHEMBL3667015

CCCC(Cc1ccccc1)(OC)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 3/20 0.38
RECQL P46063 2/20 0.38
MMP8 P22894 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
RIPK1 Q13546 1/20 0.36
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
PPARG P37231 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
SCHEMBL22406298 0.87 SMN1; SMN2 (0.44) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL27780467 0.86 ALDH1A1 (0.42) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL8578234 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL3249147 0.79 TSHR (0.41) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL27457092 0.78 ALDH1A1 (0.47) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL16447676 0.76 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AALDH1A1RECQLMMP8
SCHEMBL1040897 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1RECQLKMT2APPARG
SCHEMBL28359788 0.75 CETP (0.41) CYP3A4MAPTKMT2AARG1ARG2
SCHEMBL20393963 0.74 LMNA (0.39) TSHRCYP3A4LMNA
SCHEMBL28289195 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AALDH1A1RECQLMMP8

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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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 (2 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP SMN1; SMN2 1679/4885HIF1A 3699/4885ALDH1A1 2461/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SMN1; SMN2 1679/4885HIF1A 3699/4885ALDH1A1 2461/4885

“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.