SCHEMBL18243012

SCHEMBL18243012

CCC([O])c1c(C)cccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ SCN4A P35499 4/20 0.32
▸ MAOA P21397 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ SCN3A Q9NY46 2/20 0.32

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
SCHEMBL18242272 0.82 CA1 (0.37) CA1CA2CA7CA9CYP1A2
SCHEMBL18242809 0.79 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL18242436 0.76 GABRA1 (0.52) GABRA1GABRB2ALDH1A1LMNASCN5A
SCHEMBL18242803 0.76 GABRA1 (0.41) CA1CA2CA9GABRA1GABRB2
SCHEMBL18243036 0.76 NR3C1 (0.35) TSHRNR3C1SLC6A4
SCHEMBL8377426 0.76 ADRA2A (0.39) CYP1A2CYP2A6GABRA1GABRB2TSHR
SCHEMBL18243094 0.74 CES2 (0.39) GABRA1GABRB2ACHELMNAMC4R
SCHEMBL18242187 0.74 TAS1R3 (0.40) CYP1A2CYP2A6GABRA1GABRB2TSHR
SCHEMBL6221831 0.74 ESR1 (0.46) TSHRACHEALDH1A1LMNACYP3A4
SCHEMBL8372482 0.74 CA1 (0.48) CA1CA2CA7CA9CYP1A2

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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 CA1 719/4885CA2 173/4885CA7 366/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CA1 719/4885CA2 173/4885CA7 366/4885

“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.

Send feedback