SCHEMBL1674458

SCHEMBL1674458

CN(C)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 5/20 0.50
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALOX5 P09917 1/20 0.44
AOC3 Q16853 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LIPE Q05469 1/20 0.44

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
SCHEMBL24632162 0.85 TSHR (0.52) TSHRALDH1A1IDO1AGXTMAPT
Hydrochloric Acid SCHEMBL28441325 0.84 AGXT (0.46) TSHRALDH1A1IDO1AGXTMAPT
SCHEMBL10627501 0.81 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDSLC6A2
SCHEMBL10063510 0.80 TSHR (0.52) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL14617699 0.79 TSHR (0.46) TSHRALDH1A1IDO1AGXTMAPT
SCHEMBL21484985 0.79 TSHR (0.46) TSHRALDH1A1IDO1AGXTMAPT
SCHEMBL10477328 0.79 TSHR (0.54) TSHRALDH1A1IDO1AGXTMAPT
SCHEMBL7045980 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHPGDSLC6A2SLC6A3
SCHEMBL27789341 0.78 EPHX2 (0.48) ALDH1A1MAPTHPGDALOX5L3MBTL1
SCHEMBL11330873 0.78 ALDH1A1 (0.48) ALDH1A1MAPTHPGDSLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115369432-B Method for preparing nitrile by electrocatalytic coupling of primary alcohol and ammonia substance 大连理工大学 2024-08-20 CN claimed
CN-115369432-A Method for preparing nitrile by coupling electro-catalysis of primary alcohol and ammonia substances 大连理工大学 2022-11-22 CN claimed
CN-108485185-B High-reliability high-fluidity epoxy resin composition for vehicles and application thereof 长兴电子材料(昆山)有限公司 2020-06-30 CN claimed
US-20110189253-A1 BIOMATERIAL COMPOSITION AND METHOD WARSAW ORTHOPEDIC, INC. (US) 2011-08-04 US claimed
US-20060270750-A1 Bone cement compositions TA CONTRAST AB (SE) 2006-11-30 US claimed
EP-1610832-A2 BONE CEMENT COMPOSITIONS TA Contrast AB (SE) 2006-01-04 EP claimed
WO-2004087229-A2 BONE CEMENT COMPOSITIONS TA CONTRAST AB (SE) 2004-10-14 WO claimed
CN-1259120-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2000-07-05 CN claimed
US-20250215144-A1 POLYMERIC ADHESIVE FOR ANCHORING COMPLIANT MATERIALS TO ANOTHER SURFACE CUSTOMERS BANK 2025-07-03 US disclosed
US-12139574-B2 Polymeric adhesive for anchoring compliant materials to another surface HYALEX ORTHOPAEDICS, INC. (US) 2024-11-12 US disclosed
CN-115369432-B Method for preparing nitrile by electrocatalytic coupling of primary alcohol and ammonia substance 大连理工大学 2024-08-20 CN disclosed
US-20240076438-A1 POLYMERIC ADHESIVE FOR ANCHORING COMPLIANT MATERIALS TO ANOTHER SURFACE CUSTOMERS BANK 2024-03-07 US disclosed
US-11760830-B2 Polymeric adhesive for anchoring compliant materials to another surface HYALEX ORTHOPAEDICS, INC. (US) 2023-09-19 US disclosed
US-20230148252-A1 PROCESS FOR TREATING KERATIN MATERIALS USING A FLAVIN DERIVATIVE, A POLYMERIZABLE MOLECULE AND LIGHT RADIATION L'OREAL (FR) 2023-05-11 US disclosed
WO-2000042059-A1 NEW AMIDINOBENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2000-07-20 WO disclosed
CN-1259120-A Calcilytic compounds SMITHKLINE BEECHAM CORP (US) 2000-07-05 CN disclosed
WO-1991012000-A1 ANILINE DERIVATIVES OF α-STYRYL CARBINOLS AS ANTIFUNGAL AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-22 WO disclosed
US-4797504-A HYDROXYLAMINES AND PHENYLENEDIAMINE DERIVATIVES BETZ LABORATORIES, INC. (US) 1989-01-10 US disclosed
EP-0266906-A2 Method and composition for inhibiting acrylate ester polymerization BETZ EUROPE, INC. (US) 1988-05-11 EP disclosed
EP-0240297-A1 Inhibiting polymerization of vinyl aromatic compounds BETZ EUROPE, INC. (US) 1987-10-07 EP 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-20230148252-A1 PROCESS FOR TREATING KERATIN MATERIALS USING A FLAVIN DERIVATIVE, A POLYMERIZABLE MOLECULE AND LIGHT RADIATION KRT18, FLNA, VIM TSHR 4529/4885ALDH1A1 1205/4885IDO1 2381/4885
US-20110189253-A1 BIOMATERIAL COMPOSITION AND METHOD ILK, KIT, CAD TSHR 4878/4885ALDH1A1 1981/4885IDO1 725/4885

“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.