SCHEMBL1922611

SCHEMBL1922611

CCCCC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPK1 P28482 1/20 0.61
HIF1A Q16665 1/20 0.61
LMNA P02545 1/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
ALOX12 P18054 1/20 0.56
THRB P10828 4/20 0.55
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CYP3A4 P08684 2/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL30683369 1.00 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1ALMNACRHBP
SCHEMBL11449629 0.95 ALDH1A1 (0.59) ALDH1A1MAPK1HIF1ALMNACRHBP
SCHEMBL2125979 0.89 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1ALMNACRHBP
SCHEMBL10792071 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1ALMNATHRB
SCHEMBL16372242 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1HIF1ALMNACRHBP
SCHEMBL13346899 0.84 ALDH1A1 (0.62) ALDH1A1MAPK1HIF1ATHRBPOLB
SCHEMBL17690580 0.83 CHRM2 (0.48) ALDH1A1MAPK1HIF1ALMNACRHBP
SCHEMBL11278113 0.83 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1ATHRBPOLB
SCHEMBL31029939 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1HIF1ALMNACRHBP
SCHEMBL14443210 0.82 MAPT (0.62) ALDH1A1MAPK1HIF1ALMNACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117258329-A Method for preparing chiral hexaconazole 江西鑫臻科技有限公司 2023-12-22 CN disclosed
CN-101805300-B Method for preparing chiral hexaconazole BEIJING OKEANOS TECH CO., LTD. (CN) 2012-02-15 CN disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
EP-2328902-A1 PYRAZOLO [5,1-B]OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS Novartis AG (CH) 2011-06-08 EP disclosed
CN-101805300-A Method for preparing chiral hexaconazole OKEANOS TECH CO LTD 2010-08-18 CN disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
WO-2010015628-A1 PYRAZOLO [5,1-B] OXAZOLE DERIVATIVES AS CRF1 ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 US disclosed
EP-0636120-B1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LTD (GB) 1999-09-08 EP disclosed
US-5750740-A Process for preparing epoxides from carbonyl compounds using sulphonium or sulphoxonium ylides and intermediates useful therein ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5637727-A Process for preparing epoxides from carbonyl compounds using sulphonium or sulphoxonium ylides and intermediates useful therein ZENECA LIMITED (GB) 1997-06-10 US disclosed
EP-0636120-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1995-02-01 EP disclosed
WO-1992014703-A1 EPOXIDATION PROCESS OF CARBONYL COMPOUNDS USING SULPHONIUM OR SULPHOXONIUM YLIDES AND INTERMEDIATES ZENECA LIMITED (GB) 1992-09-03 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 (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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 ALDH1A1 1728/4885MAPK1 913/4885HIF1A 742/4885

“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.