SCHEMBL50033

SCHEMBL50033

CC(C)(C)[N]c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
MAPK1 P28482 2/20 0.36
MIF P14174 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
HTR3B O95264 1/20 0.36
PLAU P00749 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 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
SCHEMBL8586685 0.76 MAPK1 (0.42) ALDH1A1NOS3NOS1MAPK1TSHR
SCHEMBL5983233 0.74 ACHE (0.44) ALDH1A1NOS3NOS1MAPK1HTR3E
SCHEMBL8974450 0.74 NOS3 (0.39) ALDH1A1NOS3NOS1HTR3ESLC22A2
SCHEMBL10415824 0.72 ALDH1A1 (0.55) ALDH1A1NOS3NOS1MAPK1TSHR
SCHEMBL18650117 0.72 ALDH1A1 (0.55) ALDH1A1NOS3NOS1MAPK1TSHR
SCHEMBL10415823 0.72 ALDH1A1 (0.55) ALDH1A1NOS3NOS1MAPK1TSHR
SCHEMBL5982502 0.71 HTR3E (0.48) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3607297 0.71 ALDH1A1 (0.45) ALDH1A1NOS3NOS1MAPK1MIF
SCHEMBL6986783 0.71 ALDH1A1 (0.45) ALDH1A1NOS3NOS1MAPK1MIF
SCHEMBL3108854 0.69 ACHE (0.39) ALDH1A1MAPK1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
CN-116813979-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-09-29 CN disclosed
CN-112839988-B Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-06-06 CN disclosed
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-12-23 US disclosed
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed
CN-112839988-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2021-05-25 CN disclosed
WO-2020067144-A1 NUCLEATING AGNET, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF 株式会社ADEKA 2020-04-02 WO disclosed
EP-3252120-B1 ANTIFOULING COMPOSITION, ANTIFOULING SHEET, AND METHOD FOR MANUFACTURING ANTIFOULING SHEET LINTEC CORP (JP) 2019-08-21 EP disclosed
US-10190022-B2 Antifouling composition, antifouling sheet, and method for manufacturing antifouling sheet LINTEC CORPORATION (JP) 2019-01-29 US disclosed
US-20180010011-A1 ANTIFOULING COMPOSITION, ANTIFOULING SHEET, AND METHOD FOR MANUFACTURING ANTIFOULING SHEET LINTEC CORPORATION (JP) 2018-01-11 US disclosed
US-5085685-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-5057143-A Herbicides, plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0414058-A2 Carboxylic acid derivatives BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 US disclosed
EP-0158843-B1 A N-(6-SUBSTITUTED PYRIDINE-2-CARBONYL)-3-SUBSTITUTED HISTIDINE DERIVATIVE, A METHOD OF PREPARING THE SAME AND ITS USE AS AN ANTI-TUMOR AGENT MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-11-11 EP disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 EP disclosed
EP-0158843-A1 A N-(6-substituted pyridine-2-carbonyl)-3-substituted histidine derivative, a method of preparing the same and its use as an anti-tumor agent MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1985-10-23 EP disclosed
US-3980677-A Anthraquinone dyestuffs containing sulphonic acid groups BAYER AKTIENGESELLSCHAFT (DT) 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 (1 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-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF NOC2L, RIF1, NAP1L1 ALDH1A1 2699/4885NOS3 1554/4885NOS1 1366/4885

“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.