SCHEMBL599103

SCHEMBL599103

Cc1ccc2c(C)cccc2c1C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.68
CYP2A6 P11509 4/20 0.68
TSHR P16473 5/20 0.52
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 2/20 0.44
TRPA1 O75762 1/20 0.44
AHR P35869 1/20 0.41
ACHE P22303 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HIF1A Q16665 3/20 0.37
CES1 P23141 2/20 0.37
EPAS1 Q99814 2/20 0.37

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
SCHEMBL598952 0.97 CYP1A2 (0.65) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL599477 0.83 CYP1A2 (0.87) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL6705797 0.83 CYP1A2 (0.87) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL424167 0.83 CYP1A2 (1.00) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL597709 0.83 TSHR (0.52) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL29463284 0.83 CYP1A2 (1.00) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL9010933 0.81 CYP1A2 (0.83) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL15224424 0.80 CYP1A2 (0.59) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL29293329 0.78 CYP1A2 (0.52) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL3961404 0.78 CYP1A2 (0.59) CYP1A2CYP2A6TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240407250-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR MITSUBISHI CHEMICAL CORPORATION (JP) 2024-12-05 US disclosed
WO-2023153161-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICEELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE 三菱ケミカル株式会社 2023-08-17 WO disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 US disclosed
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2009-07-09 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
US-7314946-B2 (2-cyclopentenyl)chlorosilanes and their preparation methods KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-01 US disclosed
US-20070191622-A1 (2-Cyclopentenyl)chlorosilanes and their preparation methods KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2007-08-16 US disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-4382034-A Process for the preparation of dianthraquinonylamines BAYER AKTIENGESELLSCHAFT (DE) 1983-05-03 US disclosed
EP-0049381-A1 Process for the preparation of dianthraquinonyl amines BAYER AG (DE) 1982-04-14 EP disclosed
EP-0006203-B1 PROCESS FOR THE PREPARATION OF AMINODIOXYANTHRACENES BAYER AG (DE) 1981-09-16 EP disclosed
EP-0006203-A1 Process for the preparation of aminodioxyanthracenes BAYER AG (DE) 1980-01-09 EP disclosed
US-4163747-A Process for the preparation of 1-alkylamino-anthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1979-08-07 US disclosed
US-4102906-A Process for preparing α-amino-β'-nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed
US-4076736-A Preparation of aminoanthraquinones from nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DT) 1978-02-28 US disclosed
US-4054587-A Preparation of chloroanthraquinones from nitroanthraquinones BAYER AKTIENGESELLSCHAFT (DT) 1977-10-18 US disclosed
US-3933867-A Process for the preparation of 1-aminoanthraquinone BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed
US-3933868-A Process for the preparation of 1,5- and 1,8-diamino-anthraquinone BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B CYP1A2 1240/4885CYP2A6 1327/4885TSHR 4176/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885CYP2A6 1388/4885TSHR 4434/4885
US-20070191622-A1 (2-Cyclopentenyl)chlorosilanes and their preparation methods DHPS, SFN, CSDE1 CYP1A2 1467/4885CYP2A6 1977/4885TSHR 4764/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885TSHR 4165/4885

“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.