SCHEMBL714856

SCHEMBL714856

Cc1ccc(C2CCCC(=O)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.50
MAPT P10636 3/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 2/20 0.40
SLC18A3 Q16572 1/20 0.38
GAA P10253 1/20 0.37
SRC P12931 1/20 0.36
POLB P06746 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
HPGD P15428 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
SCHEMBL735604 0.89 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL7004062 0.89 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL7004274 0.89 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL715319 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL3964037 0.81 ESR2 (0.74) ESR2MAPT
SCHEMBL18980759 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL17996691 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL3668278 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL718300 0.81 ESR2 (0.50) ESR2MAPTPDE4APDE4BPDE4C
SCHEMBL715591 0.81 MAPT (0.59) ESR2MAPTLMNAALDH1A1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2022-12-20 US disclosed
CN-108299334-B Bicyclic sulfinamide-alkene chiral ligand, and preparation method and application thereof 成都理工大学 2021-06-25 CN disclosed
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ZHEJIANG UNIVERSITY (CN) 2021-06-03 US disclosed
CN-108659041-B Phosphine ligand compound based on tetramethyl spiroindane skeleton, intermediate thereof, preparation method and application 浙江大学 2020-04-10 CN disclosed
EP-2816040-B1 Process for the production of CCR2 receptor antagonists and intermediates thereof CENTREXION THERAPEUTICS CORP (US) 2018-10-17 EP disclosed
CN-108659041-A Phosphine ligands compound and its intermediate and preparation method based on tetramethyl spiro indan skeleton and purposes 浙江大学 2018-10-16 CN disclosed
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-08-11 US disclosed
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2015-10-01 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20070117981-A1 Rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-24 US disclosed
US-20070117981-A1 Rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-24 US disclosed
US-5384078-A Reaction of dienes with epoxides and carbon dioxide to form lactones for reaction with calcium BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1995-01-24 US disclosed
US-5211889-A Organocalcium cuprate complexes formed by reduction BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-05-18 US disclosed
WO-1993003044-A1 REACTIVE FORM OF CALCIUM AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-02-18 WO disclosed
US-4434299-A REACTION OF ALICYCLIC ALCOHOLS OR KETONES WITH AMMONIA MOBIL OIL CORPORATION (US) 1984-02-28 US disclosed
US-4379925-A MOLYBDATE CATALYST THE STANDARD OIL CO. (US) 1983-04-12 US disclosed
US-4271091-A OXIDES OF MOLYBDENUM, TUNGSTEN, VANADIUM AND/OR ANTIMONY STANDARD OIL COMPANY (US) 1981-06-02 US 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 (6 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-20070117981-A1 Rhodium quinonoid catalysts NQO2, NDUFV2, QARS1 ESR2 1644/4885MAPT 3897/4885PDE4A 2623/4885
US-20070123715-A1 Method of using rhodium quinonoid catalysts NQO2, NQO1, RECQL ESR2 1317/4885MAPT 4481/4885PDE4A 4301/4885
US-20150274663-A1 S1P AND/OR ATX MODULATING AGENTS LPAR3, S1PR3, S1PR1 ESR2 1351/4885MAPT 4831/4885PDE4A 1784/4885
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ORMDL3, TALDO1, TAC3 ESR2 1628/4885MAPT 4702/4885PDE4A 2663/4885
US-20160229778-A1 DIRECT B-ARYLATION OF CARBONYL COMPOUNDS DBH, DDT, CBR3 ESR2 960/4885MAPT 4423/4885PDE4A 2923/4885
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ORMDL3, TALDO1, TAC3 ESR2 1708/4885MAPT 4698/4885PDE4A 2618/4885

“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.