SCHEMBL3241378

SCHEMBL3241378

C=CCC(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 4/20 0.46
GPR35 Q9HC97 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSD P07339 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL29557923 1.00 CYP1A2 (0.49) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL6886522 0.83 CYP1A2 (0.46) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL11461676 0.82 CYP1A2 (0.54) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL30331074 0.82 CYP1A2 (0.54) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL10686702 0.81 CYP1A2 (0.67) CYP1A2TSHRALDH1A1KDM4EMEN1
SCHEMBL12232402 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL7153686 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL31145677 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL267829 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35CYP3A4
SCHEMBL14599491 0.81 CYP1A2 (0.53) CYP1A2TSHRALDH1A1GPR35CYP3A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 CN disclosed
EP-3356447-A1 INHIBITORS OF MENAQUINONE BIOSYNTHESIS Memorial Sloan-Kettering Cancer Center (US) 2018-08-08 EP disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
WO-2017059411-A9 INHIBITORS OF MENAQUINONE BIOSYNTHESIS MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-08-31 WO disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
US-20130053556-A1 Photocleavable morpholino oligos with integral photolinkers for modulating the activity of any selected gene transcript by exposure to light GENE TOOLS, LLC (US) 2013-02-28 US disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
US-6124445-A PRO DRUGS FOR OLIGONUCLEOTIDES HAVING BIOREVERSIBLE PHOSPHATE BLOCKING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-26 US disclosed
US-5955591-A OLIGONUCLEOTIDES HAVING BIOREVERSIBLE PHOSPHATE BLOCKING GROUPS; USED AS PRODRUGS; ANTISENSE AGENTS CENTER NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-09-21 US disclosed
EP-0912592-A1 PHOSPHOTRIESTER OLIGONUCLEOTIDES, AMIDITES AND METHOD OF PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1999-05-06 EP disclosed
WO-1997047637-A1 PHOSPHOTRIESTER OLIGONUCLEOTIDES, AMIDITES AND METHOD OF PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (US) 1997-12-18 WO disclosed
US-3944540-A Precipitation of organic dyes and dye intermediates in the presence of finely divided polytetrafluoroethylene THE HARSHAW CHEMICAL COMPANY (US) 1976-03-16 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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 CYP1A2 28/4885TSHR 3767/4885ALDH1A1 21/4885
US-20130053556-A1 Photocleavable morpholino oligos with integral photolinkers for modulating the activity of any selected gene transcript by exposure to light MITF, RTCB, UPF1 CYP1A2 2735/4885TSHR 3151/4885ALDH1A1 2417/4885

“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.