SCHEMBL2935552

SCHEMBL2935552

CC(C)(C)c1cccc(Cc2cccc(C(C)(C)C)c2O)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.67
GABRA1 P14867 3/20 0.57
GABRB2 P47870 3/20 0.57
HSPA5 P11021 3/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.49
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HSP90AA1 P07900 1/20 0.39
CA1 P00915 1/20 0.38
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37

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
SCHEMBL23842558 0.91 GABRA1 (0.69) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL9752003 0.91 HSPA5 (0.57) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL18468286 0.89 CA2 (0.53) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL57139 0.87 GABRA1 (0.67) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL9514064 0.87 CA2 (0.55) CA2GABRA1GABRB2HSPA5ATM
SCHEMBL12733244 0.86 HSPA5 (0.77) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL30578552 0.86 HSPA5 (0.53) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL10495890 0.85 CA2 (0.53) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL9817051 0.85 CA2 (0.59) CA2GABRA1GABRB2HSPA5CYP2C9
SCHEMBL10706992 0.85 CA2 (0.64) CA2GABRA1GABRB2HSPA5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2023884-B1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS CHARITÉ UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-03-22 EP claimed
EP-2476404-B1 Method, means and kit for infiltrating enamel lesions CHARITÉ UNIVERSITÄTSMEDIZIN BERLIN (DE) 2017-03-22 EP claimed
US-8853297-B2 Method and means for infiltrating enamel lesions CHARITE UNIVERSITATSMEDIZIN BERLIN (DE) 2014-10-07 US claimed
EP-2476404-A1 Method, means and kit for infiltrating enamel lesions Charité Universitätsmedizin Berlin (DE) 2012-07-18 EP claimed
EP-1854445-B1 Method and means for infiltrating enamel lesions CHARITE UNIVERSITAETSMEDIZIN (DE) 2010-09-15 EP claimed
US-20090304622-A1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS CHARITE-UNIVERSITATSMEDIZIN BERLIN (DE) 2009-12-10 US claimed
EP-2023884-A1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS Ernst Mühlbauer GmbH & Co.KG (DE) 2009-02-18 EP claimed
US-7485673-B2 Method of infiltrating enamel lesions CHARITE-UNIVERSITATSMEDIZIN BERLINE (DE) 2009-02-03 US claimed
WO-2007131725-A1 METHOD AND MEANS FOR INFILTRATING ENAMEL LESIONS CHARITE-UNIVERSITÄTSMEDIZIN BERLIN (DE) 2007-11-22 WO claimed
EP-1854445-A1 Method and means for infiltrating enamel lesions Charite-Universitätsmedizin Berlin (DE) 2007-11-14 EP claimed
US-20060264532-A1 Method of infiltrating enamel lesions CHARITE - UNIVERSITATSMEDIZIN BERLIN (DE) 2006-11-23 US claimed
US-20060167129-A1 Method of infiltrating enamel lesions CHARITE-UNIVERSITATSMEDIZIN BERLIN (DE) 2006-07-27 US claimed
WO-2003043935-A1 OXIDATION RESISTANT GRANULAR ACTIVATED CARBON ENVIROTROL, INC. (US) 2003-05-30 WO claimed
US-6425941-B1 REMOVAL SOLVENTS ENVIROTROL, INC. 2002-07-30 US claimed
US-20210317065-A1 Method for Purifying Polymerizable Fluoromonomer by Distillation CENTRAL GLASS COMPANY, LIMITED (JP) 2021-10-14 US disclosed
EP-3363856-B1 RUBBER COMPOSITION SUMITOMO RUBBER IND (JP) 2020-05-20 EP disclosed
US-10414909-B2 Rubber composition SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2019-09-17 US disclosed
US-3991139-A NORBORNENE DERIVATIVES, PHENOLS, ESTER THIOETHERS SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-11-09 US disclosed
US-3985621-A CYCLOHEXYLAMINOPROPANESULFONIC ACID SANKYO COMPANY LIMITED (JA) 1976-10-12 US disclosed
US-3972854-A ANTIOXIDANT PHILLIPS PETROLEUM COMPANY (US) 1976-08-03 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 (1 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-20210317065-A1 Method for Purifying Polymerizable Fluoromonomer by Distillation AFF1, AFF4, AFF2 CA2 3497/4885GABRA1 2165/4885GABRB2 2203/4885

“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.