SCHEMBL616178

SCHEMBL616178

Nc1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.59
HSD17B10 Q99714 2/20 0.59
MAPK1 P28482 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 6/20 0.58
CYP3A4 P08684 5/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
ESR2 Q92731 1/20 0.58
PTPN1 P18031 1/20 0.58
TSHR P16473 5/20 0.55
RECQL P46063 3/20 0.55
LMNA P02545 1/20 0.50
DTYMK P23919 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 2/20 0.48
POLB P06746 2/20 0.48

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
1,4-Butanediol SCHEMBL8846553 0.91 ALOX15 (0.50) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL29850856 0.85 ALOX15 (0.59) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL9038572 0.85 ALOX15 (0.59) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL268279 0.85 DTYMK (0.62) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL28138122 0.85 DTYMK (0.62) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL29355161 0.85 DTYMK (0.62) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL30783526 0.84 DTYMK (0.60) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL3911103 0.83 MAPT (0.50) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL11149099 0.82 MAPK1 (0.57) ALOX15HSD17B10MAPK1L3MBTL1ALDH1A1
SCHEMBL8375405 0.81 TDP1 (0.52) ALOX15L3MBTL1ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420919-A Metal organic framework material with trivalent boron blocked Lewis acid-base pair with fixed structures at two ends, preparation method and application thereof 武汉大学 2024-08-02 CN claimed
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP claimed
CN-101040028-B Photocrosslinkable materials ROLIC AG 2012-03-28 CN claimed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US claimed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US claimed
CN-101040028-A Photocrosslinkable materials ROLIC AG (CH) 2007-09-19 CN claimed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP claimed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 WO claimed
EP-0864587-B1 Aqueous binder based on polybutadiene DEGUSSA (DE) 2003-08-20 EP claimed
CN-1210262-A 2-nitryl-4-benzyl chloride chromatographic derivative reagent and preparation thereof ECOLOGICAL ENVIRONMENT RESEARC (CN) 1999-03-10 CN claimed
US-12497417-B2 Delivery systems for controlled drug release LADRX CORPORATION (US) 2025-12-16 US disclosed
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
WO-2025137293-A2 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS Roche Sequencing Solutions, Inc. (US) 2025-06-26 WO disclosed
US-20250180952-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2025-06-05 US disclosed
CN-119823106-A Enhanced nucleic acid polymerization by aromatic compounds 豪夫迈·罗氏有限公司 2025-04-15 CN disclosed
US-3982011-A ANTIBIOTICS, ANIMAL GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3957728-A MODIFIED WITH S-TRIAZINES; ABSORBENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed
US-3947512-A FROM AROMATIC DIAZONIUM COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DT) 1976-03-30 US disclosed
US-3931153-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (3 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-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 ALOX15 1622/4885HSD17B10 1803/4885MAPK1 650/4885
US-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 ALOX15 3018/4885HSD17B10 2304/4885MAPK1 3412/4885
US-12497417-B2 Delivery systems for controlled drug release ABCB11, SLC10A1, SLC5A1 ALOX15 4117/4885HSD17B10 291/4885MAPK1 4080/4885

“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.