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SCHEMBL3624082

SCHEMBL3624082

C=CCOC(=O)C(C)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CASP1 P29466 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL30071649 0.81 LMNA (0.48) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL28693167 0.78 KMT2A (0.47) TSHRKMT2AMAPTCHRM2CHRM1
SCHEMBL22566349 0.78 KMT2A (0.47) TSHRKMT2AMAPTCHRM2CHRM1
SCHEMBL30375691 0.78 CHRM2 (0.40) ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL10659232 0.77 LMNA (0.50) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL22556019 0.77 CYP2D6 (0.38) CYP3A4TSHRPKMNPSR1MEN1
SCHEMBL3812105 0.76 CYP1A2 (0.46) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL8868505 0.76 CYP1A2 (0.46) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL8868519 0.76 CYP1A2 (0.46) ALDH1A1PKMMEN1KMT2AGAA
SCHEMBL22566290 0.74 CHRM2 (0.38) CYP3A4TSHRHSD17B10HTTNPSR1

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
JP-1221380-A — — None — — JP disclosed
US-7732599-B2 from neopterin and/or 6-substituted pterins with improved yield and high stereoselectivity; reduction catalysts BIOMARIN PHARMACEUTICAL INC. (US) 2010-06-08 — — US disclosed
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin MERCK EPROVA AG (CH) 2007-10-18 — — US disclosed
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 — — EP disclosed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 — — WO disclosed
US-5043446-A Subjecting ribose to acetalization, Grignard, oxidative cleavage, hydrazoning, condensing with pyridine to 1-biopterin NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-08-27 — — US disclosed
JP-H01221380-A PRODUCTION OF L-BIOPTERIN NISSHIN FLOUR MILLING CO LTD 1989-09-04 — — JP 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-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin SPR, DHPS, BLVRB CYP3A4 362/4885ALDH1A1 3894/4885TSHR 3600/4885

“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.