SCHEMBL2300644

SCHEMBL2300644

CCOC(=O)C#Cc1ccc(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.44
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP2A6 P11509 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
FFAR1 O14842 3/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL18180527 0.88 CYP4F2 (0.39) ACACBFFAR1FFAR4PPARDPPARA
SCHEMBL18180465 0.87 FFAR1 (0.38) ACACBFFAR1FFAR4PPARDPPARA
SCHEMBL28747451 0.86 VCP (0.46) ACACBRAB9AMAPTALDH1A1NPC1
SCHEMBL16367839 0.84 ACACB (0.49) ACACBRAB9AMAPTALDH1A1NPC1
SCHEMBL9935172 0.84 CA12 (0.50) RAB9AMAPTALDH1A1NPC1TSHR
SCHEMBL11544791 0.83 ALDH1A1 (0.53) ACACBALDH1A1NPC1L3MBTL1
SCHEMBL788820 0.83 APP (0.49) ACACBALDH1A1FFAR1FFAR4TSHR
SCHEMBL852379 0.83 L3MBTL1 (0.44) RAB9AMAPTALDH1A1L3MBTL1CYP2A6
SCHEMBL2433672 0.83 APP (0.45) RAB9AMAPTALDH1A1NPC1FFAR1
SCHEMBL11236951 0.83 LMNA (0.51) RAB9AMAPTALDH1A1NPC1TSHR

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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 ACACB 4567/4885RAB9A 1893/4885MAPT 4745/4885

“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.