SCHEMBL13713632

SCHEMBL13713632

O=C(O)Cc1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
NR1H4 Q96RI1 2/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
CYP1A2 P05177 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
GLA P06280 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 3/20 0.44
CYP1A1 P04798 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL5593603 0.81 KMT2A (0.54) KMT2AMEN1KDM4ETDP1CYP1A2
SCHEMBL22493918 0.78 TDP1 (0.56) AKR1B1KMT2AMEN1KDM4ETDP1
SCHEMBL1003594 0.78 CYP1A2 (0.68) KMT2AMEN1KDM4ETDP1CYP1A2
SCHEMBL6390932 0.78 KMT2A (0.46) AKR1B1KMT2AMEN1KDM4ETDP1
2-Naphthylacetic Acid SCHEMBL29366514 0.78 NR1H4 (0.71) AKR1B1KMT2AMEN1KDM4ETDP1
2-Naphthylacetic Acid SCHEMBL238445 0.78 NR1H4 (0.71) AKR1B1KMT2AMEN1KDM4ETDP1
2-Naphthylacetic Acid SCHEMBL30493868 0.78 NR1H4 (0.71) AKR1B1KMT2AMEN1KDM4ETDP1
2-Naphthylacetic Acid SCHEMBL28641469 0.78 NR1H4 (0.71) AKR1B1KMT2AMEN1KDM4ETDP1
SCHEMBL23070737 0.77 AKR1B1 (0.60) AKR1B1KMT2AMEN1KDM4ETDP1
SCHEMBL756841 0.76 PTGS1 (0.71) AKR1B1KMT2AMEN1KDM4ETDP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3727435-B1 BIVALENT NUCLEIC ACID LIGANDS AND USES THEREFOR UNIV CARNEGIE MELLON (US) 2026-02-18 EP disclosed
CN-111757935-B Bivalent nucleic acid ligands and uses thereof 卡耐基梅隆大学 2025-02-21 CN disclosed
US-11859242-B2 Template-directed nucleic acid targeting compounds CARNEGIE MELLON UNIVERSITY (US) 2024-01-02 US disclosed
US-20200340044-A1 Template-Directed Nucleic Acid Targeting Compounds CARNEGIE MELLON UNIVERSITY 2020-10-29 US disclosed
EP-3727435-A1 BIVALENT NUCLEIC ACID LIGANDS AND USES THEREFOR CARNEGIE MELLON UNIVERSITY (US) 2020-10-28 EP disclosed
EP-3728206-A1 TEMPLATE-DIRECTED NUCLEIC ACID TARGETING COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2020-10-28 EP disclosed
CN-111801317-A Template-directed nucleic acid-targeting compounds 卡耐基梅隆大学 2020-10-20 CN disclosed
CN-111757935-A Bivalent nucleic acid ligand and use thereof 卡耐基梅隆大学 2020-10-09 CN disclosed
US-20200318195-A1 Bivalent Nucleic Acid Ligands and Uses Therefor CARNEGIE MELLON UNIVERSITY 2020-10-08 US disclosed
US-20090220381-A1 IMAGEWISE PATTERNING OF FILMS AND DEVICES COMPRISING THE SAME NESTEC S.A. (CH) 2009-09-03 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 (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-20200340044-A1 Template-Directed Nucleic Acid Targeting Compounds TARDBP, HTT, TRDMT1 AKR1B1 2466/4885KMT2A 846/4885MEN1 1494/4885
US-11859242-B2 Template-directed nucleic acid targeting compounds TARDBP, HTT, TRDMT1 AKR1B1 2466/4885KMT2A 846/4885MEN1 1494/4885

“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.