SCHEMBL459156

SCHEMBL459156

Cc1cc(C)c(C)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 4/20 0.39
ACHE P22303 1/20 0.35
ALDH1A1 P00352 6/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
DAO P14920 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL5778579 0.84 ACHE (0.40) RAPGEF4ACHEALDH1A1ALDH2ALDH3A1
SCHEMBL1551822 0.77 RAPGEF4 (0.59) RAPGEF4ACHEALDH1A1MAPTLMNA
SCHEMBL28951 0.77 RAPGEF4 (0.59) RAPGEF4ACHEALDH1A1MAPTLMNA
SCHEMBL5780229 0.77 AHR (0.44) ALDH1A1MAPTLMNAL3MBTL1CYP1A2
SCHEMBL4696777 0.77 RAPGEF4 (0.39) RAPGEF4ACHEALDH1A1ALDH2ALDH3A1
SCHEMBL5180888 0.74 RAPGEF4 (0.56) RAPGEF4ACHEALDH1A1MAPTLMNA
SCHEMBL28482658 0.74 RAPGEF4 (0.56) RAPGEF4ACHEALDH1A1MAPTLMNA
SCHEMBL10412763 0.74 RAPGEF4 (0.56) RAPGEF4ACHEALDH1A1MAPTLMNA
SCHEMBL1245480 0.73 GAA (0.36) ALDH1A1LMNAGAACYP1A2TSHR
SCHEMBL12925873 0.72 CES1 (0.36) RAPGEF4ALDH1A1LMNAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029736-B2 Camptothecin derivatives and conjugates thereof MEDIBOSTON LIMITED (HK) 2024-07-09 US disclosed
US-20230242471-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230138502-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES MERCK PATENT GMBH (DE) 2023-05-04 US disclosed
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
CN-107880028-B Compound with aza-benzene as core and organic electroluminescent device 中节能万润股份有限公司 2021-03-02 CN disclosed
CN-107880027-B Triazine-based compound and application thereof in organic electroluminescent device 中节能万润股份有限公司 2021-03-02 CN disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 US disclosed
CN-109790091-A Replace bis- (trifluoro vinyl) benzene compounds 东曹精细化工株式会社 2019-05-21 CN disclosed
US-10221164-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2019-03-05 US disclosed
CN-107880027-A It is a kind of using triazine as the compound of core and its application on organic electroluminescence device 江苏三月光电科技有限公司 2018-04-06 CN disclosed
CN-1764647-A Tetrahydroisoquinolyl acetamide derivatives for use as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD (CH) 2006-04-26 CN disclosed
EP-1611104-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-01-04 EP disclosed
WO-2004085403-A1 TETRAHYDROISOQUINOLYL ACETAMIDE DERIVATIVES FOR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-10-07 WO disclosed
US-5356889-A Carbapenicillins MERCK & CO., INC. (US) 1994-10-18 US disclosed
US-5144028-A Antibiotics MERCK & CO., INC. (US) 1992-09-01 US disclosed
EP-0472306-A1 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-02-26 EP disclosed
EP-0469844-A1 2-(9-fluorenonyl)-carbapenem MERCK & CO. INC. (US) 1992-02-05 EP disclosed
US-5034384-A Bactericides, antibiotics for resistant bacteria MERCK & CO., INC. (US) 1991-07-23 US disclosed
US-5025007-A 2-(9-fluorenonyl)-carbapenem antibacterial agents MERCK & CO., INC. (US) 1991-06-18 US disclosed
US-4034007-A Process for the production of halogenated aromatic carboxylic acids TENNECO CHEMICALS, INC. (US) 1977-07-05 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 (6 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-20230138502-A1 MATERIALS FOR ORGANIC LIGHT EMITTING DEVICES DDT, ESD, ETFA RAPGEF4 3124/4885ACHE 2533/4885ALDH1A1 389/4885
US-12029736-B2 Camptothecin derivatives and conjugates thereof TOP2A, TOP1, XPA RAPGEF4 178/4885ACHE 4421/4885ALDH1A1 1163/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 RAPGEF4 1827/4885ACHE 36/4885ALDH1A1 1850/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 RAPGEF4 1827/4885ACHE 36/4885ALDH1A1 1850/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 RAPGEF4 1827/4885ACHE 36/4885ALDH1A1 1850/4885
US-20230242471-A1 THYROMIMETICS TPO, THOP1, THRB RAPGEF4 1743/4885ACHE 50/4885ALDH1A1 1458/4885

“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.