SCHEMBL419050

SCHEMBL419050

CC(C)(C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.69
NR4A2 P43354 3/20 0.66
RXRA P19793 1/20 0.66
RXRB P28702 1/20 0.66
CYP2C19 P33261 2/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC6A3 Q01959 1/20 0.60
HIF1A Q16665 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAOB P27338 5/20 0.58
GAA P10253 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL12732314 0.95 APP (0.63) APPNR4A2RXRARXRBCYP2C19
SCHEMBL12264541 0.92 APP (0.69) APPNR4A2RXRARXRBCYP2C19
SCHEMBL22275947 0.90 APP (0.82) APPNR4A2RXRARXRBLMNA
SCHEMBL13439802 0.90 APP (0.66) APPNR4A2RXRARXRBCYP2C19
SCHEMBL10013799 0.89 LMNA (0.60) APPNR4A2RXRARXRBCYP2C19
SCHEMBL16016779 0.89 LMNA (0.60) APPNR4A2RXRARXRBCYP2C19
SCHEMBL1681364 0.87 SMN1; SMN2 (0.60) APPNR4A2CYP2C19LMNACYP1A2
SCHEMBL15372302 0.85 LMNA (0.56) APPNR4A2CYP2C19LMNACYP1A2
SCHEMBL7899077 0.85 MAOB (0.59) APPNR4A2CYP2C19LMNACYP1A2
SCHEMBL4602365 0.85 LMNA (0.61) APPNR4A2RXRARXRBCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58224786-A None JP disclosed
JP-59155096-A None JP disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-11814452-B2 Aziridine polymers whose chemical structural changes are induced by mechanical force KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2023-11-14 US disclosed
US-11814452-B2 Aziridine polymers whose chemical structural changes are induced by mechanical force KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2023-11-14 US disclosed
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 US disclosed
US-20210371557-A1 AZIRIDINE POLYMERS WHOSE CHEMICAL STRUCTURAL CHANGES ARE INDUCED BY MECHANICAL FORCE KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2021-12-02 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2007-05-31 US disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-4682193-A HEAT SENSITIVE, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1987-07-21 US disclosed
US-4480052-A COLORLESS DYE, PHENOL DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1984-10-30 US disclosed
US-4471073-A FATTY AMIDES, BISPHENOL COMPOUNDS, DYES FUJI PHOTO FILM CO., LTD. (JP) 1984-09-11 US disclosed
JP-S59155096-A THERMAL RECORDING PAPER OJI PAPER CO LTD 1984-09-04 JP disclosed
JP-S58224786-A TRANSFER TYPE HEAT-SENSITIVE RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1983-12-27 JP 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 (7 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 APP 4377/4885NR4A2 2817/4885RXRA 1532/4885
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 APP 2224/4885NR4A2 1101/4885RXRA 1451/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 APP 3554/4885NR4A2 2159/4885RXRA 1188/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 APP 1/4885NR4A2 1559/4885RXRA 3888/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C APP 2607/4885NR4A2 3351/4885RXRA 4348/4885
US-20070123576-A1 Compounds inducing differentiation of myoblasts or muscle fibers into neuron cells, pharmaceutical composition including said compounds, a method for inducing neuron differentiation and a screening method for identifying additional compounds useful for inducing neuron differentiation TNNC1, TNNI3, PYGM APP 984/4885NR4A2 533/4885RXRA 282/4885
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 APP 3711/4885NR4A2 980/4885RXRA 2306/4885

“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.