SCHEMBL4767304

SCHEMBL4767304

CC(CCCCOC(=O)c1c[nH]c2ccccc12)=C(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.52
CREBBP Q92793 1/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
THPO P40225 1/20 0.52
PMP22 Q01453 1/20 0.51
LMNA P02545 2/20 0.50
PBRM1 Q86U86 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL5935743 0.81 TSHR (0.65) NR4A2CREBBPALDH1A1TSHRCYP1A2
SCHEMBL8959903 0.81 TSHR (0.65) NR4A2CREBBPALDH1A1TSHRCYP1A2
SCHEMBL27961666 0.81 TSHR (0.66) NR4A2CREBBPALDH1A1TSHRCYP1A2
SCHEMBL4763784 0.79 KDM4E (0.61) ALDH1A1LMNAKDM4EMAPK1HDAC3
SCHEMBL5805847 0.78 NR4A2 (0.65) NR4A2CREBBPALDH1A1TSHRCYP1A2
SCHEMBL8924341 0.76 ALDH1A1 (0.54) NR4A2CREBBPALDH1A1TSHRCYP1A2
SCHEMBL4769477 0.75 NR4A2 (0.53) NR4A2ALDH1A1TSHRCYP1A2CYP2C9
SCHEMBL4769492 0.75 TSHR (0.41) ALDH1A1TSHRLMNAKDM4EMAPK1
SCHEMBL13609790 0.75 NR4A2 (0.57) NR4A2CREBBPALDH1A1TSHRCYP1A2
SCHEMBL730525 0.75 NR4A2 (0.69) NR4A2CREBBPALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP 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-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM NR4A2 2758/4885CREBBP 4301/4885ALDH1A1 875/4885

“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.