SCHEMBL1855652

SCHEMBL1855652

CC(C)(C)C1Cc2ccccc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.58
METAP1 P53582 4/20 0.49
TSHR P16473 1/20 0.44
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30022661 1.00 ACHE (0.58) ACHEMETAP1TSHRCYP19A1ALDH1A1
SCHEMBL4221590 1.00 ACHE (0.58) ACHEMETAP1TSHRCYP19A1ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL28512185 0.85 ACHE (0.47) ACHEMETAP1TSHRCYP19A1
Trifluoromethanesulfonic Acid SCHEMBL28512188 0.85 ACHE (0.44) ACHEMETAP1TSHRCYP19A1ALDH1A1
SCHEMBL25001847 0.81 CYP19A1 (0.47) ACHETSHRCYP19A1ALDH1A1HSD17B10
SCHEMBL11523523 0.81 ACHE (0.53) ACHEMETAP1TSHRCYP19A1KDM4E
SCHEMBL13337387 0.81 S100A4 (0.53) ACHECYP19A1ALDH1A1HBBHSD17B10
SCHEMBL6273471 0.80 ACHE (0.49) ACHEMETAP1TSHRCYP19A1ALDH1A1
SCHEMBL28525188 0.75 ACHE (0.63) ACHEMETAP1CYP19A1
SCHEMBL28509563 0.75 ACHE (0.46) ACHE

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478616-B1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2010-09-22 EP claimed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US claimed
EP-1478616-A1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY Givaudan SA (CH) 2004-11-24 EP claimed
WO-2003072533-A1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2003-09-04 WO claimed
EP-1340741-A1 Indane derivatives and their use in perfumery Givaudan SA (CH) 2003-09-03 EP claimed
CN-110352195-A Catalyst 博里利斯股份公司 2019-10-18 CN disclosed
US-10308607-B2 Fucosidase inhibitors HORIZON ORPHAN LLC (US) 2019-06-04 US disclosed
US-20190077756-A1 FUCOSIDASE INHIBITORS HORIZON ORPHAN LLC (US) 2019-03-14 US disclosed
US-9951013-B2 Fucosidase inhibitors HORIZON ORPHAN LLC (US) 2018-04-24 US disclosed
US-9951013-B2 Fucosidase inhibitors HORIZON ORPHAN LLC (US) 2018-04-24 US disclosed
US-20170029376-A1 FUCOSIDASE INHIBITORS RAPTOR PHARMACEUTICALS INC. (US) 2017-02-02 US disclosed
US-20170029376-A1 FUCOSIDASE INHIBITORS RAPTOR PHARMACEUTICALS INC. (US) 2017-02-02 US disclosed
US-7538243-B2 Indanes and indanones and their use in perfumery GIVAUDAN SA (CH) 2009-05-26 US disclosed
US-20050148493-A1 Indanes and indanones and their use in perfumery FLACHSMANN FELIX (CH) 2005-07-07 US disclosed
EP-1478616-A1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY Givaudan SA (CH) 2004-11-24 EP disclosed
WO-2003072533-A1 INDANES AND INDANONES AND THEIR USE IN PERFUMERY GIVAUDAN SA (CH) 2003-09-04 WO disclosed
EP-1340741-A1 Indane derivatives and their use in perfumery Givaudan SA (CH) 2003-09-03 EP disclosed
US-6391991-B1 USING COORDINATION POLYMERIZATION CATALYST BASELL TECHNOLOGY COMPANY BV (NL) 2002-05-21 US disclosed
EP-0693506-B1 Process for the preparation of amorphous polymers of propylene BASELL TECHNOLOGY CO BV (NL) 2001-08-29 EP disclosed
EP-0693506-A2 Process for the preparation of amorphous polymers of propylene SPHERILENE S.p.A. (IT) 1996-01-24 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 (4 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-20170029376-A1 FUCOSIDASE INHIBITORS FUCA1, FUCA2, ENGASE ACHE 1591/4885METAP1 103/4885TSHR 2863/4885
US-20050148493-A1 Indanes and indanones and their use in perfumery NISCH, CYP1B1, CYP2E1 ACHE 295/4885METAP1 3939/4885TSHR 4768/4885
US-20190077756-A1 FUCOSIDASE INHIBITORS FUCA1, FUCA2, ENGASE ACHE 1591/4885METAP1 103/4885TSHR 2863/4885
US-10308607-B2 Fucosidase inhibitors FUCA1, FUCA2, ENGASE ACHE 1591/4885METAP1 103/4885TSHR 2863/4885

“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.