SCHEMBL12923041

SCHEMBL12923041

CC(C)c1ccc(OC2=CC=CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ NPBWR1 P48145 3/20 0.31
▸ MCHR1 Q99705 3/20 0.31
▸ TYR P14679 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 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
SCHEMBL12923040 0.75 KDM4E (0.39) —
SCHEMBL12923039 0.75 ACACB (0.31) —
SCHEMBL4366979 0.75 ALDH1A1 (0.48) KMT2AMEN1FNTAFNTBRAB9A
SCHEMBL15849015 0.75 ALDH1A1 (0.48) KMT2AMEN1FNTAFNTBRAB9A
SCHEMBL296237 0.74 — —
Water SCHEMBL28320241 0.72 — —
SCHEMBL27627658 0.72 — —
Tannin Pyrogallol SCHEMBL14761858 0.70 LTA4H (0.39) KMT2AMEN1RAB9ASMN1; SMN2MCL1
SCHEMBL5087143 0.70 KMT2A (0.33) KMT2AMEN1RAB9AIDO1
Ethylene SCHEMBL27405348 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 — — US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 — — US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 — — 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 (2 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-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 KMT2A 2877/4885MEN1 3731/4885FNTA 2930/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 KMT2A 2877/4885MEN1 3731/4885FNTA 2930/4885

“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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