SCHEMBL2539698

SCHEMBL2539698

COc1ccccc1N(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA12 O43570 1/20 0.57
CA4 P22748 1/20 0.57
CA14 Q9ULX7 1/20 0.57
APP P05067 4/20 0.48
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ENPP2 Q13822 1/20 0.43
AOC3 Q16853 1/20 0.42
NQO2 P16083 2/20 0.42

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
Hydrochloric Acid SCHEMBL2862732 0.98 CA1 (0.55) CA1CA2CA7CA9CA12
Nitrogen SCHEMBL10985025 0.95 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL17485907 0.85 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL4540956 0.82 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL2458146 0.82 TSPO (0.46) CA1CA2CA7CA9CA12
SCHEMBL15541407 0.81 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL18884315 0.81 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL18224917 0.81 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL31461202 0.81 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL25883295 0.81 CA1 (0.52) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184520-A Biphenyl amine compound, preparation method thereof and application thereof in flow battery 中国科学院大连化学物理研究所 2024-06-14 CN claimed
US-6984673-B2 Dental cement composition KURARAY CO., LTD. (JP) 2006-01-10 US claimed
US-5498549-A A FLUORESCENT POLYNUCLEAR COMPOUND COVALENTLY BONDED TO A POLYSILOXANE MATRIX, BLOOD GASES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-03-12 US claimed
US-4076537-A Light-sensitive materials containing organo tellurium or selenium compounds and sensitizers FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US claimed
US-12589055-B2 Dental composition DENTSPLY SIRONA INC. (US) 2026-03-31 US disclosed
EP-3231413-B1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2025-03-19 EP disclosed
EP-3328342-B1 DENTAL ADHESIVE DENTSPLY DETREY GMBH (DE) 2025-01-29 EP disclosed
CN-114401704-B Dental composition 登士柏希罗纳有限公司 2024-10-29 CN disclosed
CN-118541359-A Inhibitors of molluscum contagiosum infection and methods of use thereof 宾夕法尼亚大学董事会 2024-08-23 CN disclosed
CN-118184520-A Biphenyl amine compound, preparation method thereof and application thereof in flow battery 中国科学院大连化学物理研究所 2024-06-14 CN disclosed
US-11904030-B2 Dental composition DENTSPLY SIRONA INC. (US) 2024-02-20 US disclosed
CN-108779190-B Anaerobically curable resin composition 三键有限公司 2024-02-09 CN disclosed
US-4094876-A OIL AND FUEL ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1978-06-13 US disclosed
US-4088666-A Reductions with chelated lithium hydridoaluminates or hydridoborates EXXON RESEARCH & ENGINEERING CO. (US) 1978-05-09 US disclosed
US-4076537-A Light-sensitive materials containing organo tellurium or selenium compounds and sensitizers FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed
US-4076530-A Dry photographic copying method for producing Te images FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed
US-4062685-A ORGANO-TELLURIUM COMPOUND FUJI PHOTO FILM CO., LTD. (JA) 1977-12-13 US disclosed
US-4003898-A Process for the manufacture of cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-3963747-A Basic arylmercaptonaphtholactam dyes BASF AKTIENGESELLSCHAFT (DT) 1976-06-15 US disclosed
US-3933879-A SEPARATIONS, CATALYTIC REACTIONS, REDUCTIONS, ELECTROCHEMISTRY EXXON RESEARCH AND ENGINEERING COMPANY (US) 1976-01-20 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-12589055-B2 Dental composition CRHR1, CRHR2, CBR1 CA1 362/4885CA2 174/4885CA7 341/4885
US-11904030-B2 Dental composition CBR3, CBR1, PRDX3 CA1 194/4885CA2 258/4885CA7 324/4885

“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.