SCHEMBL1661184

SCHEMBL1661184

C=CCOC(=O)c1ccccc1N(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
TSHR P16473 6/20 0.60
ALDH1A1 P00352 5/20 0.60
HSD17B10 Q99714 1/20 0.60
MAPT P10636 3/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RHOA P61586 1/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
RASGRP3 Q8IV61 2/20 0.41
CA1 P00915 1/20 0.40

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
Ethane SCHEMBL28085459 0.83 CYP3A4 (0.92) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL2538164 0.83 CYP3A4 (0.68) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL27474785 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL16371573 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL29362146 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL15174 0.83 CYP3A4 (1.00) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL8394882 0.82 TSHR (0.60) CYP3A4TSHRALDH1A1HSD17B10MAPT
Propene SCHEMBL28124828 0.82 CYP3A4 (0.89) CYP3A4TSHRALDH1A1HSD17B10MAPT
Ethylene SCHEMBL11883084 0.81 CYP3A4 (0.96) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL11394440 0.81 CYP3A4 (0.96) CYP3A4TSHRALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11958822-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2024-04-16 US disclosed
US-20230331691-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. 2023-10-19 US disclosed
US-11505535-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2022-11-22 US disclosed
US-11046666-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2021-06-29 US disclosed
EP-3428206-B1 CURABLE COMPOSITION COMPRISING AN ACRYLIC-MODIFIED ALKYD RESIN AND COATING MATERIAL FOR PRIMING FOR THIN INORGANIC FILM DAINIPPON INK & CHEMICALS (JP) 2021-06-23 EP disclosed
US-11026920-B2 Use of NK-1 receptor antagonist serlopitant in pruritus VYNE THERAPEUTICS INC. (US) 2021-06-08 US disclosed
EP-3828160-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. (US) 2021-06-02 EP disclosed
CN-108779220-B Acrylic modified alkyd resin and coating agent for inorganic material film prime coat DIC株式会社 2021-03-30 CN disclosed
US-20200306224-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. 2020-10-01 US disclosed
US-10781316-B2 Acrylic-modified alkyd resin and coating material for priming for thin inorganic film DIC CORPORATION (JP) 2020-09-22 US disclosed
US-5744512-A Coreactive photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-28 US disclosed
US-5532112-A PHOTOPOLYMERIZATION CIBA-GEIGY CORPORATION (US) 1996-07-02 US disclosed
US-5071732-A TWO-LAYER SYSTEM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-12-10 US disclosed
US-4922004-A Copolymerizable photoinitiators Merck Patent Gesellschaft mit bescrankter Haftung (DE) 1990-05-01 US disclosed
US-4914004-A RADIATION CURABLE; IMMOBILIZED PHOTOINITIATOR MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-03 US disclosed
US-4822682-A Oriented polymer materials MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-18 US disclosed
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 US disclosed
US-4434035-A Mixtures of aromatic-aliphatic ketones as photoinitiators and photopolymerizable systems containing them Merck Patent Gesellschaft mit beschr/a/ nkter Haftung (DE) 1984-02-28 US disclosed
US-4390453-A DISCOLORATION INHIBITION; ULTRAVIOLET HARDENING OF ACRYLIC INKS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-06-28 US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 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 (6 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-11505535-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CYP3A4 75/4885TSHR 927/4885ALDH1A1 1619/4885
US-20230331691-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 CYP3A4 75/4885TSHR 927/4885ALDH1A1 1619/4885
US-20200306224-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 CYP3A4 849/4885TSHR 1250/4885ALDH1A1 2186/4885
US-11958822-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CYP3A4 75/4885TSHR 927/4885ALDH1A1 1619/4885
US-11026920-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 CYP3A4 849/4885TSHR 1250/4885ALDH1A1 2186/4885
US-11046666-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CYP3A4 75/4885TSHR 927/4885ALDH1A1 1619/4885

“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.