SCHEMBL17307938

SCHEMBL17307938

C=CC(=O)OCC(COCCCC)OC(=O)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.44
▸ CNR2 P34972 5/20 0.44
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 4/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 0.40
▸ ADRB3 P13945 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CDC25A P30304 1/20 0.38
▸ CDC25C P30307 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CA2 P00918 1/20 0.38
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL17320104 0.91 UTS2R (0.39) CNR1CNR2CYP2C9CDC25BL3MBTL1
SCHEMBL9360245 0.85 CNR1 (0.54) CNR1CNR2CYP2C9TSHRCDC25B
SCHEMBL17307936 0.85 CNR1 (0.44) CNR1CNR2CYP2C9TSHRCDC25B
SCHEMBL12018015 0.83 ADRB2 (0.43) CDC25BL3MBTL1ADRB2ADRB1ADRB3
SCHEMBL19223417 0.78 UTS2R (0.40) CNR1CNR2CYP2C9CDC25BADRB2
SCHEMBL17320113 0.78 ADRB2 (0.39) CNR1CNR2CYP2C9CDC25BL3MBTL1
SCHEMBL14824448 0.77 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21312378 0.76 HRH3 (0.52) TSHRCDC25BTDP1L3MBTL1ADRB2
SCHEMBL21312112 0.76 HRH3 (0.52) TSHRCDC25BTDP1L3MBTL1ADRB2
SCHEMBL19223359 0.76 ADRB2 (0.38) CNR1CNR2CYP2C9CDC25BADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9532931-B2 Polysiloxane compound and dental materials that can be prepared from it VOCO GMBH (DE) 2017-01-03 — — US disclosed
US-20150342841-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PREPARED FROM IT VOCO GMBH (DE) 2015-12-03 — — 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-20150342841-A1 POLYSILOXANE COMPOUND AND DENTAL MATERIALS THAT CAN BE PREPARED FROM IT SMCHD1, IPO5, IPO9 CNR1 3171/4885CNR2 3737/4885CYP2C9 2259/4885

“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.

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