SCHEMBL16639436

SCHEMBL16639436

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.44
ELANE P08246 3/20 0.41
TSHR P16473 1/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
GFER P55789 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL14967665 1.00 ALDH1A1 (0.46) ALDH1A1GAAELANETSHRCYP2D6
SCHEMBL16488403 0.81 ALDH1A1 (0.46) ALDH1A1GAAELANETSHRTDP1
SCHEMBL15325112 0.80 ALDH1A1 (0.40) ALDH1A1GAAELANETDP1ATM
SCHEMBL9133118 0.79 TSHR (0.60) ALDH1A1GAAELANETSHRTDP1
SCHEMBL14967504 0.79 TSHR (0.44) ALDH1A1GAAELANETSHRTDP1
SCHEMBL11170472 0.78 F13A1 (0.43) ALDH1A1GAAELANETSHRTDP1
SCHEMBL20253764 0.77 ALDH1A1 (0.46) ALDH1A1GAAELANETDP1ATM
SCHEMBL20253793 0.77 ALDH1A1 (0.46) ALDH1A1GAAELANETDP1ATM
Potassium Ion SCHEMBL11168186 0.77 ALDH1A1 (0.42) ALDH1A1GAAELANETSHRTDP1
SCHEMBL11170494 0.76 ALDH1A1 (0.40) ALDH1A1GAAELANETSHRTDP1

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 5 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

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 3185/4885ELANE 3968/4885

“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.