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Sugi Predict / Compounds / SCHEMBL17853802

SCHEMBL17853802

SCHEMBL17853802

CCC(C)C(=O)OC1C2CC3C1OC(=O)C3C2C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.33
▸ CYP3A4 P08684 6/20 0.33
▸ LMNA P02545 5/20 0.33
▸ HIF1A Q16665 4/20 0.33
▸ TSHR P16473 4/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ABCB11 O95342 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ITGB2 P05107 2/20 0.33
▸ ICAM1 P05362 2/20 0.33
▸ PGR P06401 2/20 0.33
▸ ABCB1 P08183 2/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ ITGAL P20701 2/20 0.33
▸ TACR2 P21452 2/20 0.33
▸ TBXA2R P21731 2/20 0.33
▸ SLC6A2 P23975 2/20 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
SCHEMBL12405799 0.91 HMGCR (0.33) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL824265 0.89 ALDH1A1 (0.33) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL12533392 0.89 HMGCR (0.33) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL6367919 0.88 KMT2A (0.33) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL18844964 0.87 — —
SCHEMBL6367915 0.85 HMGCR (0.33) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL13324968 0.85 HMGCR (0.31) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL6367229 0.85 HMGCR (0.36) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL6368305 0.85 CYP3A4 (0.34) HMGCRCYP3A4LMNAHIF1ATSHR
SCHEMBL12018699 0.84 FABP7 (0.32) HMGCRCYP3A4LMNAHIF1ATSHR

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-9758609-B2 Monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-12 — — US disclosed
US-20170131635-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
US-20170131635-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
US-20160342086-A1 POLYMER, MONOMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-11-24 — — US disclosed
US-20160179002-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-23 — — 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 (3 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-20160179002-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS ADH1C, ADH1A, ADH5 HMGCR 2225/4885CYP3A4 2415/4885LMNA 3230/4885
US-20160342086-A1 POLYMER, MONOMER, RESIST COMPOSITION, AND PATTERNING PROCESS PARG, RAD1, POLR1A HMGCR 1658/4885CYP3A4 4337/4885LMNA 711/4885
US-20170131635-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS H1-2, H1-0, H1-4 HMGCR 3869/4885CYP3A4 3381/4885LMNA 780/4885

“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.