SCHEMBL3241749

SCHEMBL3241749

Cc1ccc(C[CH]c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
ACHE P22303 2/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP2A6 P11509 2/20 0.39
IDO1 P14902 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 2/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL1987774 0.91 MAOB (0.46) LMNAPOLBACHETSHRALOX12
SCHEMBL5056468 0.89 CYP2A6 (0.50) POLBACHETDP1L3MBTL1MAPK1
SCHEMBL21179476 0.86 CYP2A6 (0.48) POLBACHETDP1L3MBTL1MAPK1
SCHEMBL69726 0.84 MAOB (0.57) LMNATSHRALOX12L3MBTL1MAOB
SCHEMBL4953933 0.82 TP53 (0.48) LMNAACHETDP1MAOBMAOA
SCHEMBL7757955 0.81 TACR1 (0.39) MAOBMAOACYP2A6ALDH1A1HPGD
SCHEMBL3274573 0.79 NFE2L2 (0.57) LMNAACHEGAASMN1; SMN2HTT
SCHEMBL3844786 0.79 MAOB (0.48) LMNATDP1L3MBTL1MAPK1MAOB
SCHEMBL4348469 0.78 ESR1 (0.45) LMNATDP1MAOBMAOACYP2C19
SCHEMBL8840747 0.78 SIGMAR1 (0.44) LMNAPOLBTSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101544581-B Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI SEIYAKU CO 2013-02-06 CN claimed
EP-1310487-B1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI SEIYAKU CO (JP) 2007-01-03 EP claimed
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. 2005-12-08 US claimed
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-01-29 US claimed
EP-1310487-A1 PROCESSES FOR PREPARATION OF BICYCLIC COMPOUNDS AND INTERMEDIATES THEREFOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-14 EP claimed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US claimed
US-4611063-A Silicon-bearing amides SANDOZ CORP. (US) 1986-09-09 US claimed
US-4512898-A ORGANOSILANE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-23 US claimed
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP claimed
US-4420475-A ANTICHOLESTEROL AGENTS, SILANATION SANDOZ, INC. (US) 1983-12-13 US claimed
US-4415560-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS SANDOZ, INC. (US) 1983-11-15 US claimed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP claimed
US-4296240-A ANTI-ATHEROSCLEROTIC AGENTS SANDOZ, INC. (US) 1981-10-20 US claimed
CN-101544581-B Processes for preparation of bicyclic compounds and intermediates therefor DAIICHI SEIYAKU CO 2013-02-06 CN disclosed
US-8338391-B2 Phosphine-borane compound and method for producing the same, and method for producing hydrogen-phosphine-borane compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100152489-A1 NEW PHOSPHINE-BORANE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING HYDROGEN-PHOSPHINE-BORANE COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2010-06-17 US disclosed
US-4296240-A ANTI-ATHEROSCLEROTIC AGENTS SANDOZ, INC. (US) 1981-10-20 US disclosed
EP-0025569-A2 Silicon-bearing amides, their production, intermediates in their production, and pharmaceutical compositions containing them SANDOZ AG (CH) 1981-03-25 EP disclosed
US-4248893-A Arterial wall cholesterol ester reducing cyclopropanyl-bearing amides SANDOZ, INC. (US) 1981-02-03 US disclosed
EP-0012183-A2 4,4 Dialkyl-4-sila-fatty acid amides, intermediates and process for their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1980-06-25 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 (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-20100152489-A1 NEW PHOSPHINE-BORANE COMPOUND AND METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING HYDROGEN-PHOSPHINE-BORANE COMPOUND PHOSPHO1, BMP2, BMP1 LMNA 4656/4885POLB 2717/4885ACHE 892/4885
US-20040019223-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, CYP51A1, WEE1 LMNA 1331/4885POLB 237/4885ACHE 1264/4885
US-20050272797-A1 Processes for preparation of bicyclic compounds and intermediates therefor DCXR, WEE1, CYP51A1 LMNA 1326/4885POLB 257/4885ACHE 1242/4885

“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.