SCHEMBL54880

SCHEMBL54880

O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
TSHR P16473 2/20 0.66
CYP3A4 P08684 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
CES1 P23141 2/20 0.53
CES2 O00748 1/20 0.53
CYP19A1 P11511 1/20 0.52
ALOX5 P09917 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL728757 0.95 ALDH1A1 (0.66) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL7596117 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL12501661 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL11689544 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL28815673 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL30917331 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL8590575 0.87 ALDH1A1 (0.90) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL9798039 0.86 CYP3A4 (0.75) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL3968747 0.86 TSHR (0.61) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1
SCHEMBL1928079 0.86 ALDH1A1 (0.56) ALDH1A1TSHRCYP3A4SMN1; SMN2CES1

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 1734 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008743-A1 PROCESS FOR PRODUCING POLYUNSATURATED FATTY ACIDS IN THE FORM OF ESTERS ENI S.P.A. (IT) 2026-01-08 US claimed
US-20250304688-A1 Methods and Compositions Comprising Anti-CD3 Antibodies and DYRK1A Inhibitors for Treating Diabetes PROVENTION BIO, INC. (US) 2025-10-02 US claimed
EP-4555055-A1 PROCESS FOR PRODUCING POLYUNSATURATED FATTY ACIDS IN THE FORM OF ESTERS Eni S.p.A. (IT) 2025-05-21 EP claimed
CN-119752357-A Low-VOC gas volatilization high-temperature-resistant hot melt adhesive composite film and preparation method thereof 江苏惠沣环保科技有限公司 2025-04-04 CN claimed
CN-119177000-B Salt-fog-resistant epoxy modified aqueous acrylic resin emulsion and preparation method and application thereof 台昌树脂(佛山)有限公司 2025-03-04 CN claimed
CN-119546736-A Method for producing polyunsaturated fatty acids in the form of esters 艾尼股份公司 2025-02-28 CN claimed
CN-119492837-A Method for detecting N-methyl-D-prolinol isomer 江苏恒瑞医药股份有限公司 2025-02-21 CN claimed
CN-119431208-A Method for preparing vitamin D2 with high conversion rate and high selectivity 成都亚中生物制药有限责任公司 2025-02-14 CN claimed
CN-119217618-A Preparation method of interlayer crosslinked polyimide three-layer composite film 沙洲职业工学院 2024-12-31 CN claimed
CN-119177000-A Salt-fog-resistant epoxy modified aqueous acrylic resin emulsion and preparation method and application thereof 台昌树脂(佛山)有限公司 2024-12-24 CN claimed
WO-1989008835-A1 THIOACYLATION PEPTIDE SEQUENCING WITH ACYLATION OF THIAZOLINES BIO-AFFINITY SYSTEMS, INC. (US) 1989-09-21 WO claimed
US-4861726-A Method of thioacylation peptide sequencing with acylation of thiazoloinones BIO-AFFINITY SYSTEMS, INC. (US) 1989-08-29 US claimed
EP-0206283-A2 Optically active pyridobenzoxazine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 EP claimed
EP-0008599-B1 SURFACTANT AND PHENOLIC FOAM PRODUCED THEREWITH Celotex Corporation (US) 1983-12-14 EP claimed
US-4205135-A COMPRISING PHENOLIC RESIN POLYMER AND A SURFACTANT WHICH IS NONIONIC, BRANCHED, AND HAS HYDROXYL VLAUE LESS THAN 50 THE CELOTEX CORPORATION (US) 1980-05-27 US claimed
EP-0008599-A1 SURFACTANT AND PHENOLIC FOAM PRODUCED THEREWITH. CELOTEX CORP (US) 1980-03-19 EP claimed
WO-1979000163-A1 PHENOLIC FOAM AND SURFACTANT USEFUL THEREIN CELOTEX CORP (US) 1979-04-05 WO claimed
US-4142853-A BENZOYLATION SHIKIBO LIMITED (JP) 1979-03-06 US claimed
US-4140842-A ENCAPPED REACTION PRODUCT OF A POLYOXYALKYLATED DIAMINE AND A COPOLYMER OF DIALKYL MALEATE AND A CYCLIC VINYL AMIDE THE CELOTEX CORPORATION (US) 1979-02-20 US claimed
US-4088483-A SELENIUM, POLYVINYLCARBAZOLE, NITRATED BENZOIC ACID DERIVATIVE MINOLTA CAMERA KABUSHIKI KAISHA (JA) 1978-05-09 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20260008743-A1 PROCESS FOR PRODUCING POLYUNSATURATED FATTY ACIDS IN THE FORM OF ESTERS ELOVL1, ELOVL6, ELOVL3 ALDH1A1 952/4885TSHR 1060/4885CYP3A4 2013/4885

“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.