SCHEMBL4817643

SCHEMBL4817643

OC(CCC1CCCCC1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 3/20 0.35
HPGD P15428 2/20 0.34
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
METAP1 P53582 1/20 0.33
EPHX1 P07099 2/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
MLYCD O95822 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL75027 0.79 CYP1A2 (0.34) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL5671309 0.78 SIGMAR1 (0.38) CYP1A2SIGMAR1HPGDMETAP1EPHX1
SCHEMBL14209302 0.76 CYP1A2 (0.31) CYP1A2PDK1PDK2PDK3PDK4
SCHEMBL5670650 0.76 SIGMAR1 (0.34) CYP1A2SIGMAR1HPGDMETAP1KDM4E
SCHEMBL24535449 0.75 CYP1A2 (0.44) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL10463427 0.75 CYP1A2 (0.44) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL13744086 0.72 LIPA (0.30)
SCHEMBL18785769 0.72 HPGD (0.35) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL27436730 0.71 CYP1A2 (0.46) CYP1A2SIGMAR1HPGDCHRM5ADRA2C
SCHEMBL291415 0.71 CYP1A2 (0.46) CYP1A2SIGMAR1HPGDMETAP1EPHX1

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-7385091-B2 Process for producing fluorine-containing diol and its derivatives CENTRAL GLASS CO., LTD. (JP) 2008-06-10 US disclosed
US-7385091-B2 Process for producing fluorine-containing diol and its derivatives CENTRAL GLASS CO., LTD. (JP) 2008-06-10 US disclosed
US-7385091-B2 Process for producing fluorine-containing diol and its derivatives CENTRAL GLASS CO., LTD. (JP) 2008-06-10 US disclosed
US-20070032684-A1 Process for producing fluorine-containing diol and its derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2007-02-08 US disclosed
US-20070032684-A1 Process for producing fluorine-containing diol and its derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2007-02-08 US disclosed
US-20070032684-A1 Process for producing fluorine-containing diol and its derivatives CENTRAL GLASS COMPANY, LIMITED (JP) 2007-02-08 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-20070032684-A1 Process for producing fluorine-containing diol and its derivatives HDHD5, ADH1A, AFF1 CYP1A2 103/4885SIGMAR1 3210/4885HPGD 144/4885

“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.