SCHEMBL4187983

SCHEMBL4187983

CC(C)(C)Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 2/20 0.34

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
SCHEMBL31119916 1.00 HTR7 (0.42) HTR7ALDH1A1KCNH2CA1CA2
Toluene SCHEMBL27745468 0.90 LMNA (0.42) HTR7ALDH1A1KCNH2RAB9ANPC1
SCHEMBL29428931 0.82 CA1 (0.45) ALDH1A1KCNH2CA1CA2CA4
SCHEMBL3820431 0.82 CA1 (0.45) ALDH1A1KCNH2CA1CA2CA4
SCHEMBL1566030 0.79 KCNH2 (0.37) HTR7KCNH2GAAMEN1KMT2A
SCHEMBL9804688 0.77 HTR7 (0.36) HTR7ALDH1A1CA1CA2CA9
SCHEMBL15201572 0.77 HTR7 (0.41) HTR7ALDH1A1RAB9ANPC1LMNA
SCHEMBL5366367 0.77 HTR7 (0.37) HTR7ALDH1A1CA1CA2CA4
SCHEMBL615592 0.76 HTR7 (0.38) HTR7ALDH1A1CA1CA2CA9
SCHEMBL29471353 0.76 HTR7 (0.38) HTR7ALDH1A1CA1CA2CA9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 — — US disclosed
CN-102455598-A Coloring composition, coloring pattern, color filter, color display element, and method for manufacturing color filter JSR CORP 2012-05-16 — — CN disclosed
CN-100486963-C Sulfonium salt compound WAKO PURE CHEM IND LTD (JP) 2009-05-13 — — CN disclosed
CN-100482629-C Para-(2-methoxyl) ethylphenol synthesis method SHANGHAI INST TECHNOLOGY (CN) 2009-04-29 — — CN disclosed
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 — — US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 — — EP disclosed
CN-101161764-A Substituted pentacene red organic electroluminescent material and preparation method thereof SHANGHAI TUOYIN DIGITAL TECHNO (CN) 2008-04-16 — — CN disclosed
EP-1237845-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2007-05-23 — — EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 — — US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 — — EP disclosed
US-6541670-B2 Antiinflammatory agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-04-01 — — US disclosed
US-20030013770-A1 Aminobenzophenones as inhibitors of il 1b and tnf LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-01-16 — — US disclosed
EP-1237845-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-09-11 — — EP disclosed
CN-1302799-A Sulfonium salt compound WAKO PURE CHEM IND LTD (JP) 2001-07-11 — — CN disclosed
WO-2001042189-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-06-14 — — WO disclosed
CN-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 — — CN 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-20030013770-A1 Aminobenzophenones as inhibitors of il 1b and tnf IL1B, IL1A, IL6 HTR7 1902/4885ALDH1A1 159/4885KCNH2 435/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 HTR7 299/4885ALDH1A1 132/4885KCNH2 406/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 HTR7 3114/4885ALDH1A1 4510/4885KCNH2 234/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 HTR7 3217/4885ALDH1A1 4472/4885KCNH2 4691/4885

“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.

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