SCHEMBL10270183

SCHEMBL10270183

C=C(C)c1cc(OCCCC)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN11 Q06124 2/20 0.42
LTA4H P09960 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR5A1 Q13285 1/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL10658292 0.81 PTPN11 (0.58) TSHRALDH1A1HSD17B10PTPN11KMT2A
SCHEMBL10269054 0.80 KDM4E (0.45) ALDH1A1PTPN11LTA4HNR5A1RAB9A
SCHEMBL10063478 0.79 MAOB (0.54) ALDH1A1LTA4HNR5A1RAB9AGAA
SCHEMBL4257305 0.78 ALDH1A1 (0.56) TSHRALDH1A1HSD17B10PTPN11CYP1A2
SCHEMBL22281530 0.78 NOS2 (0.54) ALDH1A1RAB9AGAAMAPTNPC1
SCHEMBL10655121 0.77 PTPN11 (0.65) TSHRPTPN11
SCHEMBL30646245 0.77 TSHR (0.53) TSHRLTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL11655575 0.77 TSHR (0.53) TSHRLTA4HCYP1A2CYP2C9CYP2C19
SCHEMBL13303355 0.76 LTA4H (0.55) TSHRALDH1A1LTA4HCYP1A2CYP2C9
SCHEMBL2154783 0.74 MAPT (0.50) ALDH1A1HSD17B10MAPTMEN1KMT2A

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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 TSHR 4587/4885ALDH1A1 2132/4885HSD17B10 1274/4885

“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.