SCHEMBL18243722

SCHEMBL18243722

CC(C)[CH]c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ IKBKB O14920 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LY96 Q9Y6Y9 1/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 3/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL9967788 0.77 HSD11B1 (0.48) HSD11B1ALDH1A1IKBKBDYRK2BCHE
SCHEMBL29566833 0.77 HSD11B1 (0.48) HSD11B1ALDH1A1IKBKBDYRK2BCHE
SCHEMBL24309281 0.77 HSD11B1 (0.48) HSD11B1ALDH1A1IKBKBDYRK2BCHE
SCHEMBL18241956 0.73 TSHR (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL18242699 0.73 ALDH1A1 (0.35) ALDH1A1MAOAMAOBMAPK1
SCHEMBL18242127 0.73 ALOX15 (0.38) ALDH1A1KMT2AMAOAPOLBSMN1; SMN2
SCHEMBL723722 0.72 — —
SCHEMBL18378635 0.71 ALDH1A1 (0.50) ALDH1A1DYRK2SMN1; SMN2MAPTHTT
SCHEMBL15956053 0.71 CYP3A4 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPTMEN1
SCHEMBL3712847 0.71 NFE2L2 (0.54) MAPTRELA

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 HSD11B1 1223/4885ALDH1A1 151/4885IKBKB 2467/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 HSD11B1 1223/4885ALDH1A1 151/4885IKBKB 2467/4885

“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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