SCHEMBL537675

SCHEMBL537675

CCOC(=O)c1nn(C)c(OC(F)F)c1CO

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ELANE P08246 3/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 2/20 0.34
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8641971 0.86 KMT2A (0.39) ALDH1A1CYP1A2NPC1RAB9ALMNA
SCHEMBL1412582 0.77 TP53 (0.42) RAB9AKMT2ASMN1; SMN2MEN1GAA
SCHEMBL1412587 0.72 ELANE (0.39) ALDH1A1CYP1A2NPC1RAB9ALMNA
SCHEMBL3610957 0.71 NPC1 (0.38) ALDH1A1CYP1A2NPC1RAB9ALMNA
SCHEMBL31467462 0.71 ALDH1A1 (0.41) ALDH1A1CYP1A2NPC1RAB9AADORA3
SCHEMBL537622 0.71 SMN1; SMN2 (0.35) CYP1A2NPC1KMT2ASMN1; SMN2MEN1
SCHEMBL24318067 0.71 TP53 (0.39) ALDH1A1CYP1A2NPC1RAB9AADORA3
SCHEMBL8652790 0.70 KDM4E (0.33) KDM4E
SCHEMBL27163405 0.69 ALDH1A1 (0.39) ALDH1A1CYP1A2NPC1RAB9ALMNA
SCHEMBL8623813 0.69 GRM5 (0.31)

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 ALDH1A1 175/4885CYP1A2 22/4885NPC1 4698/4885

“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.