SCHEMBL6064533

SCHEMBL6064533

COC(=O)/C(Br)=C/c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 5/20 0.58
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48

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
SCHEMBL7593847 0.85 KDM4E (0.61) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL6065209 0.83 KDM4E (0.58) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL8575516 0.82 KDM4E (0.57) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL10358119 0.80 CRHBP (0.76) KDM4EALDH1A1CRHBPCRHR2KMT2A
SCHEMBL10358118 0.80 CRHBP (0.76) KDM4EALDH1A1CRHBPCRHR2KMT2A
SCHEMBL17242739 0.80 KDM4E (0.54) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL14097822 0.80 KDM4E (0.54) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL17242740 0.80 KDM4E (0.54) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL9609537 0.77 CYP1A2 (0.57) KDM4EALDH1A1CRHBPCRHR2CYP3A4
SCHEMBL28491533 0.77 CYP3A4 (0.56) KDM4EALDH1A1CRHBPCRHR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084281-B2 Synthesis of dihalohydrins and tri- and tetra-substituted olefins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-08-01 US disclosed
US-20040143125-A1 Synthesis of dihalohydrins and tri- and tetra-substituted olefins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2004-07-22 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 (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-20040143125-A1 Synthesis of dihalohydrins and tri- and tetra-substituted olefins TALDO1, HDHD5, TKT KDM4E 3377/4885ALDH1A1 374/4885CRHBP 1167/4885

“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.