SCHEMBL18243744

SCHEMBL18243744

CCC[CH]c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SLC6A19 Q695T7 1/20 0.46
HSD17B3 P37058 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BACE1 P56817 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
SCHEMBL16618643 0.87 ALDH1A1 (0.61) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL9305792 0.85 CYP1A2 (0.55) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL28769190 0.78 ALDH1A1 (0.61) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL28069963 0.77 ALDH1A1 (0.50) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL12479845 0.77 ALDH1A1 (0.59) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL20764851 0.77 ALDH1A1 (0.59) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL3106109 0.77 TP53 (0.54) ALDH1A1MAPTCYP1A2CYP2C19LMNA
SCHEMBL8955891 0.76 SLC6A19 (0.48) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL8955895 0.76 SLC6A19 (0.48) ALDH1A1SLC6A19HSD17B3MAPTPOLB
SCHEMBL18378139 0.76 LMNA (0.39) ALDH1A1MAPTPOLBKDM4ECYP1A2

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 ALDH1A1 151/4885SLC6A19 1094/4885HSD17B3 1141/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885SLC6A19 1094/4885HSD17B3 1141/4885

“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.