SCHEMBL13909501

SCHEMBL13909501

CCC(C)C(CO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.52
LMNA P02545 2/20 0.48
HKDC1 Q2TB90 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
AOC3 Q16853 1/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RIPK1 Q13546 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27991213 0.87 TRPA1 (0.52) TRPA1LMNAHKDC1TAAR1CYP2D6
SCHEMBL22009966 0.85 HKDC1 (0.52) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL28312241 0.83 TRPA1 (0.52) TRPA1LMNAHKDC1TAAR1CYP2D6
SCHEMBL111159 0.83 TRPA1 (0.50) TRPA1LMNATAAR1AOC3CYP2D6
SCHEMBL14593318 0.81 LMNA (0.50) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL14593319 0.81 LMNA (0.50) TRPA1LMNAHKDC1TAAR1AOC3
SCHEMBL873143 0.80 TAAR1 (0.61) TRPA1LMNAHKDC1TAAR1CYP2D6
SCHEMBL759880 0.80 TAAR1 (0.61) TRPA1LMNAHKDC1TAAR1CYP2D6
SCHEMBL9908239 0.80 TAAR1 (0.61) TRPA1LMNAHKDC1TAAR1CYP2D6
SCHEMBL11744344 0.79 SLC6A2 (0.50) TRPA1LMNAHKDC1TAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 CN claimed
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 CN disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-7498126-B2 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-03-03 US disclosed
US-7494760-B2 Photoacid generators, chemically amplified resist compositions, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-02-24 US disclosed
US-20080305411-A1 PHOTOMASK BLANK, RESIST PATTERN FORMING PROCESS, AND PHOTOMASK PREPARATION PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-12-11 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-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 TRPA1 1123/4885LMNA 2103/4885HKDC1 3379/4885

“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.