SCHEMBL6575989

SCHEMBL6575989

Cc1cc(=O)oc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
KDM4E B2RXH2 7/20 0.67
GAA P10253 4/20 0.67
GLA P06280 4/20 0.67
LMNA P02545 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPT P10636 3/20 0.67
THRB P10828 1/20 0.67
HTT P42858 1/20 0.67
ALPL P05186 2/20 0.64
ALPI P09923 2/20 0.64
ALB P02768 1/20 0.61
MAOB P27338 4/20 0.60
HPGD P15428 5/20 0.57
HSD17B10 Q99714 5/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CASP1 P29466 3/20 0.57
CASP7 P55210 3/20 0.57

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
SCHEMBL4924117 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL14169810 0.81 KMT2A (0.60) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL26628227 0.81 MEN1 (0.55) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL137684 0.79 ALPL (0.78) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL7703302 0.79 MEN1 (0.82) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL31120327 0.78 ALPL (0.81) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL17902705 0.78 KDM4E (0.74) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL19295023 0.78 KDM4E (0.76) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL31217544 0.77 MEN1 (0.55) ALDH1A1KDM4EGAAGLALMNA
SCHEMBL29947857 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EGAAGLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497632-B Method for synthesizing coumarin-3-phosphonate derivative UNIV SOOCHOW 2012-01-25 CN disclosed
CN-101497632-A Method for synthesizing coumarin-3-phosphonate derivative UNIV SOOCHOW (CN) 2009-08-05 CN disclosed
US-20040186132-A1 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2004-09-23 US disclosed
EP-1124986-B1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX SA (FR) 2004-05-06 EP disclosed
US-6696459-B1 USING HIGH AFFINITY, HIGH SELECTIVITY QUINOLINE DERIVATIVESW LIGAND PHARMACEUTICALS INC. 2004-02-24 US disclosed
EP-1382597-A2 Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. (US) 2004-01-21 EP disclosed
EP-0800519-B1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2003-10-22 EP disclosed
US-6555332-B2 Calibration using fluorescence signals BIOMERIEUX S.A. (FR) 2003-04-29 US disclosed
US-6448405-B1 COUPLING A 2-HALO-5-NITROBENZOIC ACID AND A 2-METHOXYPHENYL BORONIC ACID; CYCLIZING TO A NITROBENZOCOUMARIN; REDUCING TO THE AMINE; CONVERTING TO A COUMARINO(3,4-F)QUINOLINE; REDUCTION TO A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED 2002-09-10 US disclosed
US-20020031795-A1 Nitrocoumarins for detecting all micro-organisms BIOMERIEUX S.A. (FR) 2002-03-14 US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696130-A Tricyclic steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5696127-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 WO 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-20040186132-A1 Steroid receptor modulator compounds and methods NR5A1, ESRRA, NR3C2 ALDH1A1 3161/4885KDM4E 3167/4885GAA 4605/4885
US-20020031795-A1 Nitrocoumarins for detecting all micro-organisms CBR3, CYB5R3, CBR1 ALDH1A1 447/4885KDM4E 3315/4885GAA 786/4885

“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.