SCHEMBL1541971

SCHEMBL1541971

CCCCOC(=O)C(F)=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 4/20 0.49
TSHR P16473 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
BCHE P06276 1/20 0.43
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1788091 1.00 MEN1 (0.51) MEN1KMT2AKDM4ETDP1TSHR
SCHEMBL15673155 0.86 KMT2A (0.70) MEN1KMT2AKDM4ETDP1TSHR
SCHEMBL11309469 0.84 MEN1 (0.72) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL10697747 0.84 MEN1 (0.72) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL11309467 0.84 MEN1 (0.72) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL2532167 0.83 KDM4E (0.53) MEN1KMT2AKDM4ETDP1TSHR
SCHEMBL8702266 0.83 KDM4E (0.53) MEN1KMT2AKDM4ETDP1TSHR
SCHEMBL7067850 0.83 CYP1A1 (0.45) KDM4ECYP1A2NPSR1
SCHEMBL9487608 0.82 MEN1 (0.51) MEN1KMT2AKDM4ETDP1TSHR
SCHEMBL9487600 0.82 MEN1 (0.51) MEN1KMT2AKDM4ETDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648202-B2 Bis(perfluoroalkyl)phosphinous acids and derivatives and use thereof MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
EP-2303902-B1 BIS(PERFLUORALKYL)PHOSPHINOUS ACIDS AND DERIVATES AND USE THEREOF MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
CN-102105477-A Bis(perfluoralkyl)phosphinous acids and derivates and use thereof MERCK PATENT GMBH 2011-06-22 CN disclosed
US-20110124873-A1 Bis(perfluoralkyl)phosphinous acids and derivatives and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-05-26 US disclosed
EP-2303902-A1 BIS(PERFLUORALKYL)PHOSPHINOUS ACIDS AND DERIVATES AND USE THEREOF Merck Patent GmbH (DE) 2011-04-06 EP disclosed
WO-2010009818-A1 BIS(PERFLUORALKYL)PHOSPHINOUS ACIDS AND DERIVATES AND USE THEREOF MERCK PATENT GMBH (DE) 2010-01-28 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-20110124873-A1 Bis(perfluoralkyl)phosphinous acids and derivatives and use thereof PFKFB3, PFAS, PFKFB2 MEN1 2111/4885KMT2A 3493/4885KDM4E 4392/4885

“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.