SCHEMBL19780122

SCHEMBL19780122

CCCC(C)c1cccc(C#N)c1OCOC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
GAA P10253 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
PTPN1 P18031 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL20621285 0.89 L3MBTL1 (0.38) TSHRALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL19768959 0.84 EGFR (0.34) TSHRHPGDSMN1; SMN2CYP1A2MAPK1
SCHEMBL23492867 0.83 TSHR (0.34) TSHRALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL21883598 0.78 MAPK1 (0.31) SMN1; SMN2MAPK1GAAEGFRERBB2
SCHEMBL10490933 0.76 TSHR (0.41) TSHRALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL21884012 0.74 TSHR (0.38) TSHRALDH1A1HPGDNPC1RAB9A
SCHEMBL19779785 0.74 TSHR (0.37) TSHRALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL19069126 0.74 TSHR (0.33) TSHRALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL19592244 0.74 AR (0.35) TSHRALDH1A1HPGDL3MBTL1SMN1; SMN2
SCHEMBL23269915 0.73 PTPN1 (0.49) TSHRCYP1A2CYP2D6CYP2C9GAA

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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2018-01-18 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-20180016252-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 TSHR 70/4885ALDH1A1 4626/4885HPGD 1517/4885

“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.