SCHEMBL20909679

SCHEMBL20909679

CCCCC(C)c1ccc(OC)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.38
CRHR1 P34998 2/20 0.37
MMP13 P45452 1/20 0.37
PPARG P37231 3/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LIMK1 P53667 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 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
SCHEMBL21725520 0.85 CRHR1 (0.43) EPHX2CRHR1PPARGAKR1C3AKR1C2
SCHEMBL19879081 0.81 EPHX2 (0.40) EPHX2CRHR1PPARGLIMK1AKR1C3
SCHEMBL23251392 0.79 CNR1 (0.37) PPARGPTGESALOX5PPARA
SCHEMBL21725505 0.78 CRHR1 (0.40) EPHX2CRHR1PPARGLIMK1AKR1C3
SCHEMBL13784396 0.78 AR (0.43) EPHX2CRHR1LIMK1AKR1C3AKR1C2
SCHEMBL16442494 0.78 MMP13 (0.40) MMP13L3MBTL1
SCHEMBL23015832 0.77 CRHR1 (0.43) EPHX2CRHR1PPARGAKR1C3AKR1C2
SCHEMBL23251395 0.75 CNR1 (0.37)
SCHEMBL16442489 0.75 HSD11B1 (0.40)
SCHEMBL16442477 0.75 HSD11B1 (0.40)

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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT EPHX2 3843/4885CRHR1 4681/4885MMP13 4559/4885

“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.