SCHEMBL985929

SCHEMBL985929

[C-]#[N+]c1ccc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
TAAR1 Q96RJ0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 2/20 0.33
CYP3A4 P08684 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.33
ADRA2A P08913 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL29953658 1.00 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL10526514 0.82 CYP2A6 (0.39) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL8600425 0.80 ALDH1A1 (0.42) TDP1TP53ALDH1A1CYP3A4
SCHEMBL29839690 0.80 ALDH1A1 (0.42) TDP1TP53ALDH1A1CYP3A4
SCHEMBL29807846 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL8974919 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL8148963 0.76 CYP3A4 (0.41) TP53CYP2A6RAPGEF4SMN1; SMN2CYP3A4
SCHEMBL9272780 0.76 ALDH1A1 (0.52) CYP1A2CYP2A6ALDH1A1MEN1KMT2A
SCHEMBL2741041 0.76 ACHE (0.35) CYP1A2CYP2A6ALDH1A1ACHE
SCHEMBL324210 0.76 ALDH1A1 (0.35) CYP2A6ALDH1A1MEN1KMT2ARAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680218-A2 SINGLE COMPONENT CATIONIC PALLADIUM PROINITIATORS FOR THE LATENT POLYMERIZATION OF CYCLOOLEFINS Promerus, LLC (US) 2006-07-19 EP claimed
US-20050187398-A1 Single component cationic palladium proinitiators for the latent polymerization of cycloolefins PROMERUS, LLC 2005-08-25 US claimed
WO-2005042147-A2 SINGLE COMPONENT CATIONIC PALLADIUM PROINITIATORS FOR THE LATENT POLYMERIZATION OF CYCLOOLEFINS PROMERUS, LLC (US) 2005-05-12 WO claimed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
WO-2022154114-A1 TRANSITION METAL COMPLEX/SILICON COMPOSITES AND CATALYST 国立大学法人東京大学 2022-07-21 WO disclosed
US-20180162852-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED 2018-06-14 US disclosed
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9926307-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2018-03-27 US disclosed
US-9889136-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-02-13 US disclosed
US-20170247365-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2017-08-31 US disclosed
US-9662333-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-05-30 US disclosed
US-20040219452-A1 Dissolution rate modifiers for photoresist compositions PROMERUS LLC 2004-11-04 US disclosed
WO-2004076495-A2 VINYL ADDITION POLYCYCLIC OLEFIN POLYMERS PREPARED WITH NON-OLEFINIC CHAIN TRANSFER AGENTS AND USES THEREOF PROMERUS LLC (US) 2004-09-10 WO disclosed
WO-2004074933-A2 DISSOLUTION RATE MODIFIERS FOR PHOTORESIST COMPOSITIONS PROMERUS LLC (US) 2004-09-02 WO disclosed
US-4369189-A INSECTICIDES, MITICIDES NEMATOCIDES UNION CARBIDE CORPORATION (US) 1983-01-18 US disclosed
US-4252815-A ADRENERGIC BLOCKING AGENTS MEAD JOHNSON & COMPANY (US) 1981-02-24 US disclosed
US-4220468-A Herbicidal 4-trifluoromethyl-4-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1980-09-02 US disclosed
US-4186131-A CARDIOVASCULAR AGENTS MEAD JOHNSON & COMPANY (US) 1980-01-29 US disclosed
US-4186264-A Triazapentadienes as acaricides PFIZER INC. (US) 1980-01-29 US disclosed
US-4128652-A Triazapentadienes as acaricides PFIZER INC. (US) 1978-12-05 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 (5 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-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR TDP1 1290/4885TP53 94/4885CYP1A2 997/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC TDP1 2463/4885TP53 4774/4885CYP1A2 115/4885
US-20180162852-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 TDP1 504/4885TP53 126/4885CYP1A2 2383/4885
US-20170247365-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 TDP1 504/4885TP53 126/4885CYP1A2 2383/4885
US-20050187398-A1 Single component cationic palladium proinitiators for the latent polymerization of cycloolefins LRRK2, LBR, SNCA TDP1 3233/4885TP53 4833/4885CYP1A2 3712/4885

“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.