SCHEMBL16632626

SCHEMBL16632626

O=C(O)CCCCCCCCCCCCCCCCCc1ccc2cc(CCCCCCCCCCCCCCCCCC(=O)O)ccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.74
▸ MAPT P10636 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ F13A1 P00488 3/20 0.53
▸ PDE2A O00408 1/20 0.52
▸ PDE3B Q13370 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ P2RY12 Q9H244 1/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52

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
SCHEMBL29866085 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439619 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL31156411 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL710798 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL8434872 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439755 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439522 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL2107915 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL10439620 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8
SCHEMBL2536989 0.93 CYP1A2 (0.87) CYP1A2MAPTRXFP1HDAC1HDAC8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227922-B2 Amorphous amides XEROX CORPORATION (US) 2016-01-05 — — US disclosed
US-20150105587-A1 Amorphous Amides XEROX CORPORATION (US) 2015-04-16 — — 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-20150105587-A1 Amorphous Amides ALK, ACVR2A, ARG1 CYP1A2 91/4885MAPT 982/4885RXFP1 352/4885

“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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