Oxirane

Oxirane

SCHEMBL3317346

C1CO1.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
DAO P14920 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
TACR1 P25103 2/20 0.42

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
Dioxane SCHEMBL8701185 0.98 TSHR (0.71) TSHRMEN1KMT2ANPSR1IDO1
Phenol SCHEMBL28222159 0.91 TSHR (0.62) TSHRMEN1KMT2ANPSR1IDO1
Fluoride SCHEMBL27427280 0.89 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Tetrahydrofuran SCHEMBL28823233 0.89 TSHR (0.65) TSHRMEN1KMT2ANPSR1IDO1
Fluoride SCHEMBL11189438 0.87 TSHR (0.88) TSHRIDO1AGXTCA1CA2
SCHEMBL8701176 0.87 TSHR (0.62) TSHRMEN1KMT2ANPSR1IDO1
SCHEMBL27380 0.87 TSHR (1.00) TSHRIDO1AGXTCA1CA2
Benzene SCHEMBL27997624 0.87 TSHR (1.00) TSHRIDO1AGXTCA1CA2
SCHEMBL5311581 0.87 TSHR (1.00) TSHRIDO1AGXTCA1CA2
Cyclohexane SCHEMBL8149682 0.84 TSHR (0.83) TSHRIDO1AGXTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130189209-A1 HAIR SHAPE-CONTROLLING COMPOSITION SHISEIDO COMPANY, LTD. (JP) 2013-07-25 US disclosed
EP-2540278-A1 HAIR STYLING COMPOSITION SHISEIDO COMPANY, LTD. (JP) 2013-01-02 EP disclosed
CN-101616655-B Hair styling composition SHISEIDO CO.,LTD. (JP) 2011-12-14 CN disclosed
US-20100111885-A1 Hair-Shape Controlling Composition SHISEIDO COMPANY, LTD. (JP) 2010-05-06 US disclosed
CN-101616655-A Hair styling composition SHISEIDO CO LTD 2009-12-30 CN disclosed
EP-2123250-A1 HAIR-SHAPE CONTROLLING COMPOSITION Shiseido Company, Limited (JP) 2009-11-25 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 (2 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-20130189209-A1 HAIR SHAPE-CONTROLLING COMPOSITION HRH3, H1-3, H1-0 TSHR 604/4885MEN1 1047/4885KMT2A 1275/4885
US-20100111885-A1 Hair-Shape Controlling Composition DNMT3A, OGG1, DNMT1 TSHR 2891/4885MEN1 4575/4885KMT2A 198/4885

“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.