SCHEMBL3676704

SCHEMBL3676704

CC1c2ccccc2C(=O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX12 P18054 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RECQL P46063 2/20 0.37
MAPK1 P28482 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
CA7 P43166 1/20 0.37
BACE1 P56817 1/20 0.37
CA9 Q16790 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
MAPT P10636 3/20 0.36
TDP2 O95551 2/20 0.36
POLB P06746 2/20 0.36
BLM P54132 2/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL22343685 0.80 ALDH1A1 (0.34) ACHEALDH1A1ALOX12L3MBTL1RECQL
SCHEMBL1098201 0.78 ALDH1A1 (0.40) ALDH1A1ALOX12L3MBTL1RECQLMAPK1
SCHEMBL24151287 0.78 MAPT (0.38) ALDH1A1ALOX12L3MBTL1RECQLMAPK1
SCHEMBL19302779 0.78 ALDH1A1 (0.35) ACHEALDH1A1ALOX12L3MBTL1RECQL
SCHEMBL20553558 0.76 POLB (0.33) ACHEALDH1A1ALOX12L3MBTL1RECQL
SCHEMBL9588113 0.75 IDO1 (0.41) ALDH1A1ALOX12L3MBTL1RECQLMAPK1
SCHEMBL20553557 0.73 ALDH1A1 (0.34) ALDH1A1ALOX12L3MBTL1RECQLMAPK1
SCHEMBL4625779 0.73 CA12 (0.36) ALDH1A1ALOX12MAPK1CA1CA2
SCHEMBL9587885 0.73 L3MBTL1 (0.36) ALDH1A1ALOX12L3MBTL1RECQLMAPK1
SCHEMBL12261396 0.71 HSD11B1 (0.36) ALDH1A1L3MBTL1CA1CA2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023232237-A1 ETHYL 2-METHYLBENZOATE AS A FRAGRANCE SYMRISE AG (DE) 2023-12-07 WO disclosed
EP-2042480-B1 AMINOINDAN DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2013-05-01 EP disclosed
US-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-8013018-B2 Aminoindane derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
EP-1511707-B1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION SHOWA DENKO KK (JP) 2010-05-19 EP disclosed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
US-7115782-B2 Process for producing aromatic compounds by Friedel-Crafts reaction SHOWA DENKO K.K. (JP) 2006-10-03 US disclosed
EP-1310240-B1 6-Alkylindane-1-ones as perfuming agents BELL FLAVORS & FRAGANCES GMBH (DE) 2005-10-19 EP disclosed
US-20050222457-A1 Process for producing aromatic compounds by friedel-crafts reaction SHOWA DENKO K.K. (JP) 2005-10-06 US disclosed
CN-1659126-A Process for preparing aromatic compounds by Friedel-crafts reaction SHOWA DENKO KK (JP) 2005-08-24 CN disclosed
EP-1511707-A1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION Showa Denko K.K. (JP) 2005-03-09 EP disclosed
WO-2003101925-A1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION SHOWA DENKO K. K. (JP) 2003-12-11 WO disclosed
US-20030125584-A1 6-Alkylindan-1-ones as fragrances SYMRISE GMBH & CO. KG (DE) 2003-07-03 US disclosed
EP-1310240-A1 6-Alkylindane-1-ones as perfuming agents HAARMANN & REIMER GMBH (DE) 2003-05-14 EP disclosed
EP-0843666-B1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-05-16 EP disclosed
US-5780465-A 4-substituted 5-polycyclylpyrimidine herbicides DOW AGROSCIENCES LLC (US) 1998-07-14 US disclosed
EP-0843666-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1998-05-27 EP disclosed
WO-1997037978-A1 4-SUBSTITUTED 5-POLYCYCLYLPYRIMIDINE HERBICIDES DOWELANCO (US) 1997-10-16 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 (3 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-20090186916-A1 AMINOINDANE DERIVATIVE OR SALT THEREOF GRIN3A, OPRL1, GRIN2A ACHE 416/4885ALDH1A1 2681/4885ALOX12 546/4885
US-20030125584-A1 6-Alkylindan-1-ones as fragrances TRPA1, CYP1A1, CYP1B1 ACHE 1536/4885ALDH1A1 13/4885ALOX12 59/4885
US-20050222457-A1 Process for producing aromatic compounds by friedel-crafts reaction PAH, DDC, TYR ACHE 1748/4885ALDH1A1 769/4885ALOX12 1787/4885

“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.