SCHEMBL18479364

SCHEMBL18479364

CCc1ccc(C#CCO)nc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACACB O00763 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ GRM5 P41594 2/20 0.33
▸ MELK Q14680 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ CYP2A6 P11509 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL23870296 0.79 KCNH2 (0.38) KDM4EL3MBTL1FFAR1FFAR4ACACB
SCHEMBL12463337 0.78 KDM4E (0.40) KDM4EL3MBTL1FFAR1FFAR4NPC1
SCHEMBL1535553 0.78 GRM5 (0.50) RAB9AACACBALDH1A1GRM5MELK
SCHEMBL10162239 0.77 L3MBTL1 (0.42) KDM4EL3MBTL1FFAR1FFAR4NPC1
SCHEMBL9494958 0.76 ACACB (0.49) FFAR1FFAR4ACACBGRM5CYP2A6
SCHEMBL22031550 0.74 GRM5 (0.46) FFAR1FFAR4ACACBALDH1A1GRM5
SCHEMBL31044575 0.74 GRM5 (0.46) FFAR1FFAR4ACACBALDH1A1GRM5
SCHEMBL4521816 0.74 ALDH1A1 (0.37) KDM4EFFAR1FFAR4NPC1RAB9A
SCHEMBL21183985 0.74 ALDH1A1 (0.34) ALDH1A1GRM5MELK
SCHEMBL14946755 0.74 ALDH1A1 (0.39) SMN1; SMN2ACACBALDH1A1GRM5MELK

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-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-02-09 — — 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 (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-20170037039-A1 RETINOIC ACID RECEPTOR ANTAGONISTS AS CHAPERONE-MEDIATED AUTHOPHAGY MODULATORS AND USES THEREOF RXRA, RARB, RARA KDM4E 4119/4885L3MBTL1 1949/4885FFAR1 124/4885

“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.

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