SCHEMBL470628

SCHEMBL470628

Cc1ccccc1C(C)(C)P

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
TSHR P16473 3/20 0.45
ACHE P22303 2/20 0.45
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CA2 P00918 3/20 0.39
TRPA1 O75762 2/20 0.39
ATM Q13315 1/20 0.39
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
CASR P41180 1/20 0.37
CYP3A4 P08684 1/20 0.35
CD44 P16070 1/20 0.33
KIF11 P52732 1/20 0.32

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
Water SCHEMBL2496499 0.97 GABRA1 (0.46) GABRA1GABRB2TSHRACHECYP2A6
Iodide SCHEMBL9504981 0.97 GABRA1 (0.46) GABRA1GABRB2TSHRACHECYP2A6
Hydrochloric Acid SCHEMBL659883 0.97 GABRA1 (0.46) GABRA1GABRB2TSHRACHECYP2A6
Bromide SCHEMBL660019 0.97 GABRA1 (0.46) GABRA1GABRB2TSHRACHECYP2A6
Boric Acid SCHEMBL7183370 0.91 GABRA1 (0.47) GABRA1GABRB2TSHRACHECYP2A6
SCHEMBL7180493 0.91 GABRA1 (0.47) GABRA1GABRB2TSHRACHECYP2A6
Acetic Acid SCHEMBL9506298 0.87 GABRA1 (0.44) GABRA1GABRB2CYP1A2ALDH1A1CA2
Phosphoric Acid SCHEMBL7178344 0.87 GABRA1 (0.44) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL11204082 0.84 TSHR (0.45) GABRA1GABRB2TSHRACHECYP2A6
SCHEMBL15658394 0.84 TSHR (0.45) GABRA1GABRB2TSHRACHECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904416-B1 MACROMONOMERIC STABILIZER, PREPARATION METHOD THEREOF, AND METHOD FOR PREPARING POLYMERIC POLYOL WANHUA CHEMICAL GROUP CO LTD (CN) 2023-04-19 EP claimed
EP-3617243-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND THEIR USE BASF SE (DE) 2020-03-04 EP claimed
EP-3569624-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND THEIR USE BASF SE (DE) 2019-11-20 EP claimed
EP-3470444-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND THEIR USE BASF SE (DE) 2019-04-17 EP claimed
US-8623948-B2 Polycarbonate compositions having antistatic enhancers, method of preparing, and articles comprising the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2014-01-07 US claimed
US-20090326116-A1 POLYCARBONATE COMPOSITIONS HAVING ANTISTATIC ENHANCERS, METHOD OF PREPARING, AND ARTICLES COMPRISING THE SAME SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2009-12-31 US claimed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 US claimed
US-11996557-B2 Direct regeneration of lithium ion cathodes by ionothermal relithiation UT-BATTELLE, LLC (US) 2024-05-28 US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
US-20220376240-A1 DIRECT REGENERATION OF LITHIUM ION CATHODES BY IONOTHERMAL RELITHIATION U. S. DEPARTMENT OF ENERGY 2022-11-24 US disclosed
WO-2022239656-A1 COATING RESIN COMPOSITION, POLYMER, POLYMER PRODUCTION METHOD, COATING FILM AND PRODUCTION METHOD THEREFOR 富士フイルム株式会社 2022-11-17 WO disclosed
WO-2022239655-A1 RESIN COMPOSITION FOR COATING, POLYMER, METHOD FOR PRODUCING POLYMER, COATING FILM AND METHOD FOR PRODUCING SAME 富士フイルム株式会社 2022-11-17 WO disclosed
US-11274248-B2 Lanthanoid-containing inorganic material microparticles, wavelength-converting ink, coated article, and determination apparatus SEKISUI CHEMICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-5147755-A High contrast, hydrazide derivative FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed
US-5030547-A Hydrazine compound, amino development accelerator; high contrast FUJI PHOTO FILM CO., LTD. (JP) 1991-07-09 US disclosed
US-4985348-A MORPHOLINOALKYLUREIDO-SUBSTITUTED MERCAPTOTHIADIAZOLES FUJI PHOTO FILM CO., LTD. (JP) 1991-01-15 US disclosed
EP-0327133-A2 Process for photographic development processing FUJI PHOTO FILM CO., LTD. (JP) 1989-08-09 EP disclosed
US-4774011-A Electrolyte for aluminum electrolytic capacitor MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-09-27 US disclosed
EP-0246825-A2 Quaternary salt solution electrolyte for electrolytic capacitors MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1987-11-25 EP disclosed
US-4225497-A ACID CATALYSTS FOR IMIDATION RHONE-POULENC INDUSTRIES (FR) 1980-09-30 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-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 GABRA1 3537/4885GABRB2 3093/4885TSHR 2455/4885

“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.