SCHEMBL1478052

SCHEMBL1478052

C#Cc1c2ccccc2c(C#C)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 4/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 4/20 0.33
IDO1 P14902 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
GPR3 P46089 3/20 0.32
HPRT1 P00492 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
SCHEMBL29870054 1.00 CYP19A1 (0.46) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL9929156 0.91 CYP19A1 (0.42) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL4193242 0.91 CYP19A1 (0.47) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL9861856 0.90 CYP19A1 (0.45) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL16569927 0.87 CYP3A4 (0.40) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL7630201 0.87 CYP19A1 (0.39) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL7035972 0.87 KDM4E (0.50) CYP19A1ALDH1A1KDM4EMEN1GAA
SCHEMBL28851984 0.83 CYP19A1 (0.50) CYP19A1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL738593 0.81 ALDH1A1 (0.44) CYP19A1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL20494555 0.79 CYP19A1 (0.47) CYP19A1ALDH1A1KDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114653344-A Triazole gel material, preparation method thereof and application of triazole gel material in adsorption of organic pollutants 中山大学 2022-06-24 CN claimed
CN-107298756-B Alkyne-anthracene/aryl copolymer and preparation method thereof 安徽理工大学 2020-06-26 CN claimed
US-20140194605-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS, INC. (US) 2014-07-10 US claimed
US-20120156491-A1 SERS Reporter Molecules and Methods CABOT SECURITY MATERIALS INC. (US) 2012-06-21 US claimed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US claimed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US claimed
JP-3064323-A None JP disclosed
CN-118054082-A Nonaqueous electrolyte additive, nonaqueous electrolyte containing same and secondary battery 蜂巢能源科技股份有限公司 2024-05-17 CN disclosed
US-11548984-B2 Light- or heat-curing method and curable resin composition FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2023-01-10 US disclosed
CN-110678500-B Photo-or thermosetting method and curable resin composition 富士胶片和光纯药株式会社 2022-10-14 CN disclosed
CN-114653344-A Triazole gel material, preparation method thereof and application of triazole gel material in adsorption of organic pollutants 中山大学 2022-06-24 CN disclosed
CN-108602955-B Photocuring method, compound used in photocuring method, and composition 富士胶片和光纯药株式会社 2021-08-06 CN disclosed
US-10774062-B2 Photocuring method, compound and composition used therein FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
US-4097460-A DIPHENYLACETYLENE, DIPHENYLBUTADIYNE, MOLDING MATERIALS FOR HIGH TEMPERATURE APPLICATIONS HERCULES INCORPORATED (US) 1978-06-27 US disclosed
US-4070333-A AROMATIZATION CATALYST, ADDITION POLYMERIZATION HERCULES INCORPORATED (US) 1978-01-24 US disclosed
US-4026859-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026860-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-4026861-A AROMATIZATION CATALYST HERCULES INCORPORATED (US) 1977-05-31 US disclosed
US-3993711-A THERMOSETTING RESINS; COUPLING AGENTS; CARBOXYLATED PREPOLYMER HERCULES INCORPORATED (US) 1976-11-23 US disclosed
US-3931093-A CURING HERCULES INCORPORATED (US) 1976-01-06 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-20140194605-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR CYP19A1 2524/4885ALDH1A1 194/4885KDM4E 3497/4885
US-10774062-B2 Photocuring method, compound and composition used therein ESD, TMT1A, PAM CYP19A1 2246/4885ALDH1A1 23/4885KDM4E 1162/4885
US-20120156491-A1 SERS Reporter Molecules and Methods SRRT, MYCBP, SPR CYP19A1 2524/4885ALDH1A1 194/4885KDM4E 3497/4885

“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.