SCHEMBL893214

SCHEMBL893214

CC(C)c1ccccc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB2 P47870 2/20 0.44
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
TSHR P16473 3/20 0.41
SLC6A2 P23975 3/20 0.41
FAAH O00519 2/20 0.41
LMNA P02545 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL14485551 0.98 GABRA1 (0.43) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL10885923 0.87 CYP3A4 (0.43) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL1561666 0.84 TSHR (0.36) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL4429459 0.83 GABRA1 (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL11846167 0.82 TSHR (0.35) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL31158055 0.82 P2RX7 (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL9766258 0.82 ADRB2 (0.38) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL8662922 0.82 TSHR (0.35) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL11265054 0.82 P2RX7 (0.39) GABRA1GABRB2GABRG2GABRB3TSHR
SCHEMBL9651591 0.80 GABRA1 (0.42) GABRA1GABRB2GABRG2GABRB3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ATEN PORUS LIFESCIENCES PVT. LTD. (IN) 2023-01-05 US disclosed
CN-115403684-A Multipurpose polyolefin catalyst and application thereof 东北石油大学 2022-11-29 CN disclosed
CN-114029091-A Double-ligand catalytic system for selective ethylene trimerization and preparation method and application thereof 浙江智英石化技术有限公司 2022-02-11 CN disclosed
CN-107417890-B Composition, cured product, prepreg, and laminate 日铁化学材料株式会社 2021-07-20 CN disclosed
CN-112004851-A Quaternary nitrogen compounds useful as latent catalysts in curable compositions 汉高股份有限及两合公司 2020-11-27 CN disclosed
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
US-8502399-B2 Resin composition for encapsulating semiconductor and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2013-08-06 US disclosed
CN-101679171-B Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2012-12-12 CN disclosed
US-20120080809-A1 RESIN COMPOSITION FOR ENCAPSULATING SEMICONDUCTOR AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2012-04-05 US disclosed
EP-1256574-B1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KYOWA HAKKO KIRIN CO LTD (JP) 2012-01-18 EP disclosed
EP-0250090-B1 STORAGE STABLE LATENTLY CURABLE ACRYLIC FORMULATIONS EMPLOYING POLYMERIC HYDROPEROXIDES LOCTITE CORPORATION (US) 1992-01-29 EP disclosed
US-5028581-A Odorless multi-valent metal modified products of salicyclic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-07-02 US disclosed
US-5023366-A Reacted with a benzyl halide, alcohol or ether; for pressure sensitive elements MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-06-11 US disclosed
EP-0361040-A2 Odorless multi-valent metal modified products of salicylic acid copolymers, production processes thereof, and use thereof as color-developing agents for pressure-sensitive copying paper sheets MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-04 EP disclosed
EP-0360829-A1 DEHYDROBROMINATION OF SUBSTITUTED ALPHA-HALOCUMENE. DOW CHEMICAL CO (US) 1990-04-04 EP disclosed
CN-1040377-A Polyvalent metal modification odorlessness product manufacture method of salicylic acid copolymers and uses thereof MITSUI TOATSU CHEMICALS (JP) 1990-03-14 CN disclosed
WO-1988009319-A1 DEHYDROBROMINATION OF SUBSTITUTED alpha-HALOCUMENE THE DOW CHEMICAL COMPANY (US) 1988-12-01 WO disclosed
EP-0268878-A2 Salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal salts of the copolymers and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1988-06-01 EP disclosed
EP-0250090-A2 Storage stable latently curable acrylic formulations employing polymeric hydroperoxides LOCTITE CORPORATION (US) 1987-12-23 EP disclosed
US-4452746-A TO MODIFY PROPERTIES OF HIGH MOLECULAR WEIGHT COMPOUNDS NIPPON PAINT CO., LTD. (JP) 1984-06-05 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-20230002387-A1 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN ENPP1, ENPP3, PNP GABRA1 4514/4885GABRB2 4577/4885GABRG2 4529/4885

“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.