SCHEMBL19316666

SCHEMBL19316666

C=C(C)C(=O)OCC(CO)OC(=O)c1cc2ccccc2cc1C(=O)OC(CO)COC(=O)C(=C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 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
SCHEMBL19316664 0.93 ADRB2 (0.38) TSHRALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL172229 0.86 ADRB2 (0.45) TSHRALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL12019253 0.84 TSHR (0.40) TSHRALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL19316660 0.83 PTPN1 (0.46) TSHRPTPN1PRKCAELANEPOLB
SCHEMBL12019252 0.82 SCN1A (0.47) TSHRALDH1A1SMN1; SMN2PTGS2LMNA
SCHEMBL19316649 0.80 TSHR (0.39) TSHRALDH1A1MAPTPTGS2MEN1
SCHEMBL822783 0.80 ADRB2 (0.47) TSHRALDH1A1KDM4EMAPTPTGS2
SCHEMBL21422412 0.78 POLB (0.41) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL19316654 0.77 TSHR (0.42) TSHRKDM4ELMNAPTPN1PRKCA
SCHEMBL9615565 0.77 ALDH1A1 (0.45) TSHRALDH1A1KDM4ECYP1A2CYP2C9

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-20170253555-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2017-09-07 — — US disclosed
US-20170253555-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2017-09-07 — — 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-20170253555-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER H1-0, VMP1, CHRM1 TSHR 3456/4885ALDH1A1 1350/4885KDM4E 253/4885

“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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