SCHEMBL291413

SCHEMBL291413

O=C(O)OCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
KCNH2 Q12809 4/20 0.51
AKR1C3 P42330 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
KCNJ1 P48048 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
IDO1 P14902 2/20 0.47
PPARD Q03181 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX1 P07099 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2676532 0.90 TSHR (0.54) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL25285565 0.89 EPHX1 (0.60) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL291412 0.88 TSHR (0.59) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL31398832 0.87 EPHX1 (0.58) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL21434977 0.87 EPHX1 (0.58) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL9676461 0.85 TSHR (0.56) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL1282588 0.85 TSHR (0.56) TSHRKCNH2ALDH1A1MAPTMEN1
SCHEMBL9316221 0.85 TSHR (0.56) TSHRKCNH2ALDH1A1MAPTKCNJ1
SCHEMBL5182834 0.85 TSHR (0.56) TSHRKCNH2AKR1C3ALDH1A1MAPT
SCHEMBL32684923 0.83 MEN1 (0.62) TSHRKCNH2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104530415-A Hetero-functionalized Y-type polyethylene glycol derivative, preparation method and biologically related substance thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104530417-A Multifunctional H-type polyethylene glycol derivative and preparation method thereof XIAMEN SINOPEG BIOTECH INC 2015-04-22 CN claimed
CN-104109235-A Mono-functionalized polyethylene glycol with nitrogen atom branched center and its preparation method and biologically-relevant matter XIAMEN SINOPEG BIOTECH CO LTD 2014-10-22 CN claimed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 WO disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-4419513-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2024-08-28 EP disclosed
US-20240166666-A1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2024-05-23 US disclosed
US-20060173172-A1 Method for producing novel spinosyn derivatives JESCHKE PETER 2006-08-03 US disclosed
US-7034130-B2 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-04-25 US disclosed
CN-1556802-A Process for preparing novel spinosyn derivatives �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-12-22 CN disclosed
US-20040242858-A1 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2004-12-02 US disclosed
EP-1412346-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES Bayer CropScience AG (DE) 2004-04-28 EP disclosed
WO-2003010155-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-02-06 WO disclosed
US-5470974-A Uncharged polynucleotide-binding polymers NEU-GENE DEVELOPMENT GROUP (US) 1995-11-28 US disclosed
US-5142047-A Morpholino nucleosides for blocking targeted genetic sequence ANTI-GENE DEVELOPMENT GROUP (US) 1992-08-25 US disclosed
US-4086209-A Novel nitrogen-containing aromatic polymers and process for their preparation TEIJIN LIMITED (JA) 1978-04-25 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 TSHR 4670/4885KCNH2 3751/4885AKR1C3 974/4885
US-20060173172-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 TSHR 3684/4885KCNH2 4632/4885AKR1C3 213/4885
US-20040242858-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 TSHR 3684/4885KCNH2 4632/4885AKR1C3 213/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB TSHR 3614/4885KCNH2 2127/4885AKR1C3 1629/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 TSHR 4670/4885KCNH2 3751/4885AKR1C3 974/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC TSHR 4635/4885KCNH2 4016/4885AKR1C3 2591/4885

“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.