SCHEMBL8750387

SCHEMBL8750387

CC(C)c1ccc(C(C)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
HTT P42858 2/20 0.42
ADRB2 P07550 1/20 0.42
IDO1 P14902 2/20 0.41
NFKB1 P19838 1/20 0.40
MGLL Q99685 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL30471741 1.00 TYR (0.46) TYRHTTADRB2IDO1NFKB1
SCHEMBL2865480 0.90 ADRB2 (0.41) TYRHTTADRB2NFKB1LMNA
SCHEMBL678428 0.85 ADRB2 (0.59) ADRB2IDO1LMNACYP2C9HIF1A
SCHEMBL104124 0.83 TYR (0.58) TYRHTTADRB2IDO1NFKB1
SCHEMBL677868 0.82 MEN1 (0.44) HTTADRB2HIF1AMAPK1TSHR
SCHEMBL1462968 0.81 TSHR (0.50) TYRHTTADRB2IDO1NFKB1
Water SCHEMBL11726962 0.79 TYR (0.55) TYRHTTADRB2IDO1NFKB1
Ammonia Solution, Strong SCHEMBL7550588 0.79 TYR (0.55) TYRHTTADRB2IDO1NFKB1
SCHEMBL28912214 0.79 TYR (0.55) TYRHTTADRB2IDO1NFKB1
Water SCHEMBL29278796 0.79 TYR (0.55) TYRHTTADRB2IDO1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373927-A1 6-METHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUNDS ELI LILLY AND COMPANY 2023-11-23 US disclosed
EP-4225738-A1 6-METHOXY-3,4-DIHYDRO-1H-ISOQUINOLINE COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES Eli Lilly and Company (US) 2023-08-16 EP disclosed
CN-116323561-A 6-methoxy-3, 4-dihydro-1H-isoquinoline compounds useful in the treatment of diabetes 伊莱利利公司 2023-06-23 CN disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 US disclosed
WO-2021041588-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-04 WO disclosed
EP-1849787-A1 Organosilicon compound Chisso Corporation (JP) 2007-10-31 EP disclosed
EP-0523697-B1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS (JP) 1997-04-02 EP disclosed
EP-0470516-B1 Process for producing 3,5-di(alpha-methylbenzyl)salicylic acid derivative, and use of polyvalent-metal-modified product thereof as color developer MITSUI TOATSU CHEMICALS (JP) 1996-03-06 EP disclosed
EP-0268878-B1 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 (JP) 1996-01-31 EP disclosed
US-5447901-A Color-developing sheet: base material coated with composition of /a/ multivalent metal-modified salicylic acid resin formed from salicylic acid, a benzyl compound and optional styrene and /b/ analogous resin free of salicylic acid MITSUI TOATSU CHEMICAL, INC. (JP) 1995-09-05 US disclosed
EP-0361040-B1 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 (JP) 1994-12-07 EP disclosed
US-5326739-A Process for producing 3,5-di(α-methylbenzyl)salicylic acid derivative, and use of polyvalent-metal-modified product thereof as color developer MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-05 US disclosed
US-5274150-A Reacting a salicyclic acid ester with an alpha-methyl-benzyl halide using an acid catalyst and hydrolyzing MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-28 US disclosed
EP-0523697-A1 Color-developing compositions and their use MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed
EP-0470516-A2 Process for producing 3,5-di(alpha-methylbenzyl)salicylic acid derivative, and use of polyvalent-metal-modified product thereof as color developer MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-02-12 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20230373927-A1 6-METHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN COMPOUNDS GLP1R, GIPR, GPR119 TYR 928/4885HTT 654/4885ADRB2 325/4885
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK TYR 2603/4885HTT 4797/4885ADRB2 2051/4885

“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.