SCHEMBL535498

SCHEMBL535498

C[CH]Oc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
TDP1 Q9NUW8 2/20 0.44
RELA Q04206 1/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TEAD4 Q15561 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CYP2A6 P11509 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
WDR5 P61964 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
SCHEMBL28462523 0.80 ACHE (0.52) ACHETDP1RELACYP3A4TSHR
SCHEMBL21881722 0.80 ACHE (0.52) ACHETDP1RELACYP3A4TSHR
SCHEMBL354673 0.78 CA1 (0.61) ACHETDP1RELACYP3A4TSHR
SCHEMBL1224845 0.76 CYP2A6 (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL194091 0.76 ACHE (0.48) ACHETDP1RELACYP3A4TSHR
SCHEMBL1259185 0.76 NFE2L2 (0.46) ACHETDP1ALDH1A1LMNACA1
SCHEMBL95902 0.76 ACHE (0.48) ACHETDP1RELACYP3A4TSHR
SCHEMBL535420 0.76 LMNA (0.42) CYP3A4MEN1KMT2APOLBMAPT
SCHEMBL2126713 0.76 MEN1 (0.50) ACHECYP3A4MEN1KMT2AALDH1A1
SCHEMBL13665333 0.76 ACHE (0.48) ACHETDP1RELACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063093-B2 Derivatives of 5-(halo)alkanoyl-6-hydroxy- benozofuran, benzothiophene, or indole; autoimmune diseases; systemic lupus erythematosis, rheumatoid arthritis, multiple sclerosis and psoriasis, transplant rejection; antiproliferative, anticarcinogenic, antidiabetic, antiinflammatory and antiulcer agents HARVEY ANDREW J (AU) 2011-11-22 US claimed
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof HARVEY ANDREW J 2008-09-11 US claimed
WO-2006096911-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF HARVEY ANDREW J (AU) 2006-09-21 WO claimed
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP claimed
EP-1060161-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-12-20 EP claimed
WO-1999044989-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1999-09-10 WO claimed
CN-109666637-B Application of Vgamma 9 Vdelta 2T and agonist thereof in treatment of hepatic fibrosis, liver cirrhosis and liver cancer 清华大学 2023-04-11 CN disclosed
CN-115073661-A Resin composition and display device using same 三星显示有限公司 2022-09-20 CN disclosed
CN-114848656-A Inhibitors of the mevalonate pathway as highly effective vaccine adjuvants 清华大学 2022-08-05 CN disclosed
CN-108289902-B Inhibitors of the mevalonate pathway as highly effective vaccine adjuvants 清华大学 2022-05-20 CN disclosed
CN-111225672-A Mevalonate pathway inhibitors and pharmaceutical compositions thereof 清华大学 2020-06-02 CN disclosed
US-20130116287-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-09 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-0082817-A1 Colour-photographic recording material CIBA-GEIGY AG (CH) 1983-06-29 EP disclosed
US-4286044-A HIGH QUALITY DOT IMAGES USING MEROCYANINE DYES; PHOTOLITHOGRAPHY FUJI PHOTO FILM CO., LTD. (JP) 1981-08-25 US disclosed
US-4212672-A CYANINE SENSITIZER DYE, SULFONIC ACID-SUBSTITUTED HETEROCYCLIC COMPOUND, POLYOXYALKYLENE OXIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-07-15 US disclosed
US-4147553-A CYANINE DYES FUJI PHOTO FILM CO., LTD. (JP) 1979-04-03 US disclosed
US-4046572-A SILVER HALIDE PHOTOGRAPHIC LIGHT SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JA) 1977-09-06 US disclosed
US-3993437-A Process for the dyeing of polyamide fibers with sulphur dyestuffs CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3980678-A Anthraquinone disperse dyes SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-09-14 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 (2 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-20130116287-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES CYP4X1, CYP8B1, HPD ACHE 1466/4885TDP1 2096/4885RELA 4222/4885
US-20080221194-A1 Novel Potassium channel Blockers and Uses Thereof KCNAB1, KCNB1, KCNMB1 ACHE 1270/4885TDP1 2783/4885RELA 3834/4885

“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.