SCHEMBL4228063

SCHEMBL4228063

CC1=Cc2ccccc2C(=O)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CDC25A P30304 2/20 0.39
CDC25B P30305 2/20 0.39
ACHE P22303 3/20 0.37
MAPT P10636 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP19A1 P11511 1/20 0.36
POLB P06746 2/20 0.35
S100A4 P26447 1/20 0.35
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 2/20 0.35
IDO1 P14902 2/20 0.35

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
SCHEMBL28240062 0.76 KMT2A (0.38) MEN1KMT2ACDC25ACDC25BACHE
SCHEMBL28892077 0.76 CDC25A (0.36) MEN1KMT2ACDC25ACDC25BACHE
SCHEMBL29131402 0.76 ALDH1A1 (0.46) MEN1KMT2ACDC25ACDC25BMAPT
SCHEMBL8894500 0.74 ALDH1A1 (0.36) MEN1KMT2APOLBS100A4LMNA
SCHEMBL677629 0.73 MEN1 (0.55) MEN1KMT2ACDC25BACHEMAPT
SCHEMBL27947998 0.72 CDC25B (0.40) MEN1KMT2ACDC25ACDC25BMAPT
SCHEMBL12646072 0.71 MEN1 (0.52) MEN1KMT2ACDC25BACHEMAPT
SCHEMBL9205811 0.71 BRD4 (0.50) MEN1KMT2AACHEMAPTPOLB
SCHEMBL29458545 0.70 DRD2 (0.41) ACHECYP19A1LMNAALDH1A1SMN1; SMN2
SCHEMBL251288 0.70 DRD2 (0.41) ACHECYP19A1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555552-A Aldehyde compound, process for producing the same, and perfume composition 三菱瓦斯化学株式会社 2022-05-27 CN disclosed
CN-108676624-B Extraction method of rose essential oil and rose essential oil 高延厅 2022-02-11 CN disclosed
CN-108676624-A The extracting method and Rosa Damascana of Rosa Damascana 高延厅 2018-10-19 CN disclosed
US-20090062401-A1 DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS UNIVERSITAT DORTMUND (DE) 2009-03-05 US disclosed
EP-0948478-A1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO 1,2-g]-CHROM-3-ENE, BENZO 1,2-g]-THIOCHROM-3-ENE AND BENZO 1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 1999-10-13 EP disclosed
WO-1998025875-A1 ARYL OR HETEROARYL SUBSTITUTED 3,4-DIHYDROANTHRACENE AND ARYL OR HETEROARYL SUBSTITUTED BENZO[1,2-g]-CHROM-3-ENE, BENZO[1,2-g]-THIOCHROM-3-ENE AND BENZO[1,2-g]-1,2-DIHYDROQUINOLINE DERIVATIVES HAVING RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-06-18 WO 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
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO 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 MEN1 1178/4885KMT2A 3695/4885CDC25A 2810/4885

“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.