SCHEMBL3799178

SCHEMBL3799178

C=C(C)C(=O)OCC(=O)OC1CCC(C)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP2C19 P33261 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP3 P08254 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL685727 0.88 ALDH1A1 (0.38) ALDH1A1CYP2C19TSHRCYP3A4CYP2D6
SCHEMBL328665 0.82 MAPK1 (0.47) ALDH1A1CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL12914688 0.80 MAPK1 (0.45) ALDH1A1CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL3800741 0.77 ALDH1A1 (0.35) ALDH1A1CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL1697100 0.75 ALDH1A1 (0.36) ALDH1A1CYP2C19TSHRCYP3A4CYP2D6
SCHEMBL3802175 0.75 ALDH1A1 (0.39) ALDH1A1CYP2C19TSHRCYP3A4CYP2D6
SCHEMBL1006781 0.75 TAS2R46 (0.39) ALDH1A1TSHRMMP3MAPK1
SCHEMBL12121034 0.75 ALDH1A1 (0.38) ALDH1A1CYP2C19TSHRCYP3A4CYP2D6
SCHEMBL12998172 0.75 ALDH1A1 (0.38) ALDH1A1CYP2C19TSHRCYP1A2CYP2C9
SCHEMBL17247972 0.74 KDM4E (0.38) ALDH1A1TSHRCYP2D6KDM4EHSD17B10

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
US-8530134-B2 Process for producing photoresist polymeric compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-10 US disclosed
US-8470510-B2 Polymer for lithographic purposes and method for producing same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-25 US disclosed
US-20110065044-A1 POLYMER FOR LITHOGRAPHIC PURPOSES AND METHOD FOR PRODUCING SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2011-03-17 US disclosed
US-20100316954-A1 MONOMER HAVING LACTONE SKELETON, POLYMER COMPOUND AND PHOTORESIST COMPOSITION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-16 US disclosed
US-20100297551-A1 PROCESS FOR PRODUCING PHOTORESIST POLYMERIC COMPOUNDS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2010-11-25 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-20100316954-A1 MONOMER HAVING LACTONE SKELETON, POLYMER COMPOUND AND PHOTORESIST COMPOSITION RRS1, CNKSR1, LSS ALDH1A1 1413/4885CYP2C19 1525/4885TSHR 2438/4885

“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.