SCHEMBL598685

SCHEMBL598685

Cc1cc(C)c2cc3ccccc3cc2c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.68
CYP2A6 P11509 7/20 0.68
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
PSMB5 P28074 2/20 0.41
NQO1 P15559 1/20 0.40
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.36
CYP1B1 Q16678 1/20 0.36
BACE1 P56817 1/20 0.35
ELANE P08246 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
SCHEMBL27996595 0.98 CYP1A2 (0.65) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
Benzoquinone SCHEMBL28278549 0.89 CYP1A2 (0.55) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL11578182 0.84 CYP1A2 (0.56) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL599566 0.84 CYP1A2 (0.70) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL21836746 0.83 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL15413016 0.81 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL598829 0.81 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL29352143 0.81 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
Propane SCHEMBL28444183 0.80 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL27919233 0.79 CYP1A2 (0.95) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3971810-A Solid pesticidal chlorinated phenolic concentrates PHILLIPS PETROLEUM COMPANY (US) 1976-07-27 US claimed
CN-111855790-A Method for identifying specific aromatic compounds in complex environment sample 中国科学院生态环境研究中心 2020-10-30 CN 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-20100236936-A1 Aqueous,alkaline,cyanide-free bath for the galvanic deposition of zinc and zinc alloy coatings ATOTECH DEUTSCHLAND GMBH (DE) 2010-09-23 US disclosed
US-20100155257-A1 Aqueous, alkaline, cyanide-free bath for the galvanic deposition of zinc alloy coatings ATOTECH DEUTSCHLAND GMBH (DE) 2010-06-24 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-5171880-A Sulfur or oxidized sulfur in a base ALLIED-SIGNAL INC. (US) 1992-12-15 US disclosed
US-5171891-A Using sulfur containing oxy acids and their salts ALLIED-SIGNAL INC. (US) 1992-12-15 US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4131646-A Preparation of hydrogen peroxide from dihydroanthracene hydroperoxides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-12-26 US disclosed
US-3971810-A Solid pesticidal chlorinated phenolic concentrates PHILLIPS PETROLEUM COMPANY (US) 1976-07-27 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 (3 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 1327/4885TDP1 1800/4885
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP1A2 1415/4885CYP2A6 1388/4885TDP1 1753/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP1A2 1174/4885CYP2A6 1296/4885TDP1 1794/4885

“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.