SCHEMBL18183003

SCHEMBL18183003

CCC(=O)Oc1cccc(F)c1COc1cc(F)c(CC)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GUCY1B2 O75343 2/20 0.37
GUCY1A2 P33402 2/20 0.37
GUCY1A1 Q02108 2/20 0.37
GUCY1B1 Q02153 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL18181976 0.93 ACLY (0.36) ALDH1A1MAPTMEN1LMNAHPGD
SCHEMBL18181988 0.93 GUCY1B2 (0.39) LTB4RLTB4R2ALDH1A1MAPTGUCY1B2
SCHEMBL18156164 0.91 ALDH1A1 (0.39) ALDH1A1MAPTMRGPRX4POLBRAB9A
SCHEMBL18181998 0.91 PTGS1 (0.38) ALDH1A1MAPTNPSR1MRGPRX4POLB
SCHEMBL18183007 0.91 SLC22A12 (0.39) ALDH1A1LMNAHPGDMAPK1KMT2A
SCHEMBL18182017 0.91 MRGPRX4 (0.43) LTB4RLTB4R2ALDH1A1GUCY1B2GUCY1A2
SCHEMBL18156363 0.91 LMNA (0.39) LTB4RLTB4R2ALDH1A1MAPTMEN1
SCHEMBL18182853 0.91 GUCY1B2 (0.38) LTB4RLTB4R2ALDH1A1MAPTGUCY1B2
SCHEMBL18182020 0.90 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2MRGPRX4
SCHEMBL18156099 0.90 MRGPRX4 (0.39) LTB4RLTB4R2ALDH1A1MAPTKMT2A

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-9573904-B2 Aromatic compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-21 US disclosed
US-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-10-27 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-20160311775-A1 AROMATIC COMPOUND AND USE THEREOF ZCCHC8, CBR3, CBX8 LTB4R 3940/4885LTB4R2 3901/4885ALDH1A1 3176/4885

“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.