SCHEMBL15325112

SCHEMBL15325112

C[C@@H]1OC(C)(C)O[C@@H]1C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
ELANE P08246 2/20 0.36
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ITGA4 P13612 1/20 0.35
ATM Q13315 2/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 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
SCHEMBL9306821 0.81 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1POLBCYP3A4
SCHEMBL16639436 0.80 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBELANE
SCHEMBL14967665 0.80 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1POLBELANE
SCHEMBL18658543 0.79 ACHE (0.37) L3MBTL1POLBMEN1KMT2A
SCHEMBL12150612 0.78 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1MAPK1ELANE
SCHEMBL12746783 0.78 ALDH1A1 (0.46) ALDH1A1GAAL3MBTL1MAPK1ELANE
SCHEMBL16466783 0.76 CYP3A4 (0.42) ALDH1A1CYP3A4MAPK1MAPTITGA4
SCHEMBL14968285 0.75 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1POLBELANE
SCHEMBL1144021 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTITGA4KMT2A
SCHEMBL15325117 0.72 ALDH1A1 (0.39) ALDH1A1MAPK1MAPTITGA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837630-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LAB TIANJIN CO LTD (CN) 2016-11-23 EP disclosed
US-9365573-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-14 US disclosed
US-9365573-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-14 US disclosed
US-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-16 US disclosed
US-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-16 US disclosed
EP-2837630-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2015-02-18 EP disclosed
WO-2013152609-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE 凯莱英医药集团(天津)股份有限公司 (CN) 2013-10-17 WO 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-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE CYP51A1, DHCR7, LSS ALDH1A1 2690/4885GAA 3185/4885L3MBTL1 4480/4885

“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.