SCHEMBL5597184

SCHEMBL5597184

CC(C)C1C=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.41
HTR2A P28223 3/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL29658875 1.00 SIGMAR1 (0.41) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL7656352 0.98 SIGMAR1 (0.40) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Ethylene SCHEMBL10454556 0.94 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL29603716 0.87 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL668104 0.87 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL28003595 0.87 SIGMAR1 (0.38) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Glycerin SCHEMBL6838628 0.86 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL6904952 0.85 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
SCHEMBL9144870 0.85 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6
Lithium SCHEMBL8770699 0.85 SIGMAR1 (0.37) SIGMAR1HTR2AHTR6KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445670-B2 Combinatorial library approach to iminocyclitols with biological activity UNITED THERAPEUTICS CORPORATION (US) 2013-05-21 US claimed
EP-1244608-A4 ALLYL ALCOHOL HYDROFORMYLATION ARCO CHEM TECH (US) 2005-08-03 EP claimed
EP-0993478-B1 OLEFIN POLYMERIZATION PROCESS BOREALIS TECH OY (FI) 2004-04-07 EP claimed
JP-2003519203-A 2003-06-17 JP claimed
EP-1244608-A1 ALLYL ALCOHOL HYDROFORMYLATION ARCO Chemical Technology, L.P. (US) 2002-10-02 EP claimed
WO-2001049643-A1 ALLYL ALCOHOL HYDROFORMYLATION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 2001-07-12 WO claimed
US-5654454-A REDUCING UNSATURATED SUBSTITUENTS; USED FOR ADDITION POLYMERIZATION OF OLEFINS PHILLIPS PETROLEUM COMPANY (US) 1997-08-05 US claimed
US-5510540-A FOR SENSITIVE, HIGH RESOLUTION, RAPID HARDENING PHOTORESISTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US claimed
US-4851494-A MOLDING, COATING CIBA-GEIGY CORPORATION (US) 1989-07-25 US claimed
US-12398167-B2 Process for producing metallocenes LANXESS ORGANOMETALLICS GMBH (DE) 2025-08-26 US disclosed
US-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-01-02 US disclosed
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2024-08-27 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-11661465-B2 Dimer selective metallocene catalysts, non-aromatic hydrocarbon soluble activators, and processes to produce poly alpha-olefin oligmers therewith EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-05-30 US disclosed
WO-1999003805-A1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING CHEVRON CHEMICAL COMPANY LLC (US) 1999-01-28 WO disclosed
US-5824752-A Process for the preparation of advanced resins SHELL OIL COMPANY (US) 1998-10-20 US disclosed
EP-0745607-A2 Metallocene preparation and use PHILLIPS PETROLEUM COMPANY (US) 1996-12-04 EP disclosed
US-5091439-A Using arene iron complex as curing agent CIBA-GEIGY CORPORATION (US) 1992-02-25 US disclosed
US-4962253-A Vinylation of aromatics catalyzed by cyclopentadienyl, indenyl, or fluorenyl rhodium complexes, and novel indenyl and fluorenyl rhodium complexes THE DOW CHEMICAL COMPANY (US) 1990-10-09 US disclosed
US-4861806-A PHOTOPOLYMERIZATION, LATENCY CIBA-GEIGY CORPORATION (US) 1989-08-29 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 (5 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-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 SIGMAR1 4517/4885HTR2A 4553/4885HTR6 4256/4885
US-12398167-B2 Process for producing metallocenes CYP4F2, PRDX2, PRXL2A SIGMAR1 4239/4885HTR2A 3539/4885HTR6 4463/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 SIGMAR1 4517/4885HTR2A 4553/4885HTR6 4256/4885
US-11661465-B2 Dimer selective metallocene catalysts, non-aromatic hydrocarbon soluble activators, and processes to produce poly alpha-olefin oligmers therewith NONO, TPR, ZNF787 SIGMAR1 1567/4885HTR2A 1640/4885HTR6 2234/4885
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 SIGMAR1 4695/4885HTR2A 4606/4885HTR6 4201/4885

“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.