SCHEMBL538098

SCHEMBL538098

OCc1c(C(F)(F)F)nn(-c2ccccc2)c1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
PTGS1 P23219 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
PTGS2 P35354 4/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B2 P19099 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL538334 0.78 BCAT1 (0.41) SMN1; SMN2CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL3379848 0.77 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IPTGS1SMN1; SMN2
SCHEMBL3383520 0.76 BRAF (0.43) PTGS1SMN1; SMN2PTGS2ALDH1A1MAPT
SCHEMBL14747800 0.75 PTGS2 (0.50) CACNA1GCACNA1HCACNA1IPTGS1SMN1; SMN2
SCHEMBL537622 0.75 SMN1; SMN2 (0.35) SMN1; SMN2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL30320391 0.71 MPO (0.47) PTGS1PTGS2ADAMTS5MEN1CYP1A2
SCHEMBL15212893 0.68 SRC (0.37) PTGS1SMN1; SMN2PTGS2MEN1CYP1A2
SCHEMBL14747606 0.68 PTGS2 (0.51) CACNA1GCACNA1HCACNA1IPTGS1SMN1; SMN2
SCHEMBL9283281 0.67 HTT (0.47) PTGS1SMN1; SMN2PTGS2ADAMTS5MEN1
SCHEMBL3384424 0.66 PTGS1 (0.39) PTGS1SMN1; SMN2PTGS2MEN1CYP1A2

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-1990336-B1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND IHARA CHEMICAL IND CO (JP) 2012-02-08 EP disclosed
US-7812175-B2 Process for production of 5-alkoxy-4-hydroxymethylpyrazole compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-12 US disclosed
US-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2009-02-05 US disclosed
EP-1990336-A1 PROCESS FOR PRODUCTION OF 5-ALKOXY-4-HYDROXYMETHYLPYRAZOLE COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2008-11-12 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-20090036688-A1 Process for Production of 5-Alkoxy-4-Hydroxymethylpyrazole Compound CYP4F3, ADH5, CYP3A4 CACNA1G 3639/4885CACNA1H 3692/4885CACNA1I 2841/4885

“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.