SCHEMBL291412

SCHEMBL291412

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
KCNH2 Q12809 7/20 0.49
IDO1 P14902 2/20 0.49
KCNJ1 P48048 2/20 0.49
LOXL2 Q9Y4K0 1/20 0.48
EPHX1 P07099 1/20 0.48
AKR1C3 P42330 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL1276349 0.90 TSHR (0.53) TSHRKCNH2KCNJ1EPHX1ALDH1A1
SCHEMBL2676535 0.90 TSHR (0.56) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL9223114 0.89 HTR2A (0.60) TSHRKCNH2MAPTKMT2A
SCHEMBL25236588 0.88 EPHX1 (0.61) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL291413 0.88 TSHR (0.58) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL9676461 0.86 TSHR (0.56) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL9316221 0.86 TSHR (0.56) TSHRKCNH2IDO1KCNJ1EPHX1
SCHEMBL5182834 0.86 TSHR (0.56) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL1282588 0.86 TSHR (0.56) TSHRKCNH2IDO1KCNJ1LOXL2
SCHEMBL32684923 0.85 MEN1 (0.62) TSHRKCNH2KCNJ1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
WO-2024074604-A1 COMPOUNDS FOR THE MANAGEMENT OF CELL STEMNESS AND INVASION IN CANCER AND RELATED DISEASES INSTITUTO BIOMAR, S.A (ES) 2024-04-11 WO disclosed
US-20090131406-A1 CROPWELLLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS BAYER CROPSCIENCE AG (DE) 2009-05-21 US disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-19 US disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed
WO-2008153277-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 WO 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
US-20040242858-A1 Method for producing novel spinosyn derivatives BAYER CROPSCIENCE AG (DE) 2004-12-02 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 (9 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 3751/4885IDO1 2586/4885
US-20060173172-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 TSHR 3684/4885KCNH2 4632/4885IDO1 2418/4885
US-20040242858-A1 Method for producing novel spinosyn derivatives COX15, SYVN1, CYP51A1 TSHR 3684/4885KCNH2 4632/4885IDO1 2418/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB TSHR 3614/4885KCNH2 2127/4885IDO1 1908/4885
US-20090131406-A1 CROPWELLLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS COIL, CIAPIN1, MEN1 TSHR 4683/4885KCNH2 4866/4885IDO1 3599/4885
US-20090047348-A1 POLY(ORGANOPHOSPHAZENE) HYDROGELS FOR DRUG DELIVERY, PREPARATION METHOD THEREOF AND USE THEREOF PHOSPHO1, PGLS, NAPEPLD TSHR 4408/4885KCNH2 3150/4885IDO1 4514/4885
US-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL TSHR 1530/4885KCNH2 4586/4885IDO1 2674/4885
US-20240166666-A1 ANTITUMORAL COMPOUNDS TP53, TOP1, MCL1 TSHR 4670/4885KCNH2 3751/4885IDO1 2586/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC TSHR 4635/4885KCNH2 4016/4885IDO1 3595/4885

“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.