SCHEMBL9337589

SCHEMBL9337589

O=C(O)c1cccc(OCCCCl)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.71
NR4A2 P43354 6/20 0.61
PLA2G4B P0C869 1/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
NR1H4 Q96RI1 3/20 0.57
AKR1C3 P42330 1/20 0.56
PRSS1 P07477 4/20 0.56
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
POLB P06746 1/20 0.55
TBXAS1 P24557 1/20 0.55

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
SCHEMBL9803295 0.93 KMT2A (0.80) KMT2ANR4A2PLA2G4BNPC1RAB9A
SCHEMBL4509654 0.91 KMT2A (0.77) KMT2ANR4A2PLA2G4BNR1H4AKR1C3
SCHEMBL30167982 0.89 KMT2A (0.80) KMT2ANR4A2PLA2G4BNPC1RAB9A
SCHEMBL10787479 0.89 KMT2A (0.80) KMT2ANR4A2PLA2G4BNPC1RAB9A
SCHEMBL9402647 0.88 KMT2A (0.73) KMT2ANR4A2PLA2G4BNPC1RAB9A
SCHEMBL4724803 0.86 NR4A2 (0.65) KMT2ANR4A2NPC1RAB9ANR1H4
SCHEMBL6932542 0.86 KMT2A (0.75) KMT2ANR4A2PLA2G4BNPC1RAB9A
SCHEMBL8733167 0.85 KMT2A (0.69) KMT2ANR4A2PLA2G4BNPC1RAB9A
SCHEMBL4799598 0.85 KMT2A (0.69) KMT2ANR4A2PLA2G4BNR1H4AKR1C3
SCHEMBL2455314 0.85 KMT2A (0.84) KMT2APLA2G4BNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 CN disclosed
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation THE SCRIPPS RESEARCH INSTITUTE (US) 2021-11-30 US disclosed
US-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation THE SCRIPPS RESEARCH INSTITUTE 2019-10-17 US disclosed
EP-3440056-A2 PD(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(SP3)-H BOND ACTIVATION The Scripps Research Institute (US) 2019-02-13 EP disclosed
WO-2017165304-A2 Pd(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(sp3)-H BOND ACTIVATION THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-28 WO disclosed
US-5278133-A Benzyl pyridones antigrowth agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-11 US disclosed
US-5260261-A Fused pyridine herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-09 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-20190315710-A1 Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation POLQ, AP3D1, AP3S1 KMT2A 787/4885NR4A2 3092/4885PLA2G4B 4096/4885
US-11186563-B2 Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation POLQ, AP3D1, AP3S1 KMT2A 666/4885NR4A2 3106/4885PLA2G4B 4214/4885

“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.