SCHEMBL8750604

SCHEMBL8750604

Cc1cccc(C(C)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
AOC3 Q16853 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL8897762 0.85 PGK1 (0.44) ALDH1A1TP53TDP1SMN1; SMN2HPGD
SCHEMBL31447749 0.83 ACHE (0.52) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL11614437 0.83 ACHE (0.52) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL2346730 0.83 ACHE (0.52) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL15531691 0.81 ACHE (0.50) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL7352298 0.81 ACHE (0.50) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL931982 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL99347 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL29378635 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3
SCHEMBL29352930 0.80 ACHE (0.55) ACHEACP3ALDH1A1MAPK1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US claimed
CN-111217756-B Preparation method of dexmedetomidine hydrochloride 南京亿华药业有限公司 2022-03-11 CN disclosed
CN-111217756-A Preparation method of dexmedetomidine hydrochloride 南京亿华药业有限公司 2020-06-02 CN disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-5376615-A Pressure sensitive elements containing a salicylic acid resin and a phenolic resin MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-12-27 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-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
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 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 (4 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 ACHE 193/4885ACP3 2190/4885ALDH1A1 364/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR ACHE 176/4885ACP3 2170/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR ACHE 184/4885ACP3 2158/4885ALDH1A1 362/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA ACHE 956/4885ACP3 763/4885ALDH1A1 140/4885

“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.