SCHEMBL4228062

SCHEMBL4228062

CC1(C)C=Cc2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
RECQL P46063 4/20 0.42
IDO1 P14902 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
THRB P10828 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
BCHE P06276 2/20 0.42
PTPRC P08575 2/20 0.42
CES1 P23141 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
PTPN1 P18031 1/20 0.42
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42

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
SCHEMBL5513697 0.78 ALDH1A1 (0.39) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL27370009 0.76 ALDH1A1 (0.42) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL6705347 0.75 MEN1 (0.42) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL29791582 0.73 ALDH1A1 (0.41) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL9587106 0.73 PPOX (0.40) CES1CA1CA2CA7CA9
SCHEMBL9588381 0.73 CA2 (0.42) PTPRCCES1L3MBTL1CA1CA2
SCHEMBL9565010 0.73 CA1 (0.42) MEN1KMT2APTPRCCES1L3MBTL1
SCHEMBL7049144 0.71 ALDH1A1 (0.38) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL5161550 0.70 CYP2D6 (0.38) ALDH1A1RECQLIDO1MEN1KMT2A
SCHEMBL9588274 0.70 TDP2 (0.39) KMT2AMAPTKDM4EHSD17B10BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360127-B1 Oxygenated bicyclic derivatives and their use as perfuming ingredients FIRMENICH & CIE (CH) 1994-12-07 EP claimed
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5272170-A Tetralones with pharmacological activity J. URIACH & CIA., S.A. (ES) 1993-12-21 US disclosed
US-5208246-A Hypotensive, bronchodilator J. URIACH & CIA. (ES) 1993-05-04 US disclosed
EP-0489300-A2 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-10 EP 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-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS CHAT, DLAT, CPT1A ALDH1A1 1533/4885RECQL 450/4885IDO1 789/4885

“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.