SCHEMBL18243718

SCHEMBL18243718

CCc1cccc(CC)c1[CH]C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.44
▸ GABRB2 P47870 5/20 0.44
▸ HTT P42858 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ ELANE P08246 3/20 0.32
▸ ANPEP P15144 1/20 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
SCHEMBL18378444 0.83 GABRA1 (0.33) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL18242396 0.79 CYP3A4 (0.39) ALOX15
SCHEMBL18243716 0.76 MEN1 (0.42) LMNASMN1; SMN2L3MBTL1ALOX15
SCHEMBL18378278 0.76 GABRA1 (0.38) GABRA1GABRB2HTTLMNAL3MBTL1
SCHEMBL29249250 0.75 GABRA1 (0.52) GABRA1GABRB2L3MBTL1PDK2MGLL
SCHEMBL1363486 0.73 GABRA1 (0.50) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL18243445 0.73 GABRA1 (0.50) GABRA1GABRB2L3MBTL1PDK2MGLL
SCHEMBL320588 0.73 GABRA1 (0.50) GABRA1GABRB2LMNAL3MBTL1TDP1
SCHEMBL18242771 0.73 GABRA1 (0.50) GABRA1GABRB2L3MBTL1PDK2MGLL
SCHEMBL10495645 0.71 GABRA1 (0.48) GABRA1GABRB2L3MBTL1PDK2MGLL

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 GABRA1 924/4885GABRB2 2041/4885HTT 2609/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885HTT 2609/4885

“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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