SCHEMBL18181998

SCHEMBL18181998

CCOc1cccc(OC(=O)CC)c1COc1cc(F)c(CC)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
STING1 Q86WV6 1/20 0.36
PKM P14618 1/20 0.35
ACLY P53396 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL18182576 0.93 PTGS1 (0.38) PTGS1PTGS2MRGPRX4ALDH1A1POLB
SCHEMBL18182027 0.91 FFAR4 (0.37) PTGS1PTGS2MRGPRX4ALDH1A1POLB
SCHEMBL18182250 0.91 MRGPRX4 (0.41) PTGS1PTGS2MRGPRX4ALDH1A1POLB
SCHEMBL18156363 0.91 LMNA (0.39) MRGPRX4ALDH1A1POLBMAPT
SCHEMBL18183003 0.91 LTB4R (0.37) MRGPRX4ALDH1A1POLBMAPTACLY
SCHEMBL18181976 0.91 ACLY (0.36) MRGPRX4ALDH1A1MAPTACLYPDCD1
SCHEMBL18182988 0.90 ALDH1A1 (0.42) PTGS1PTGS2MRGPRX4ALDH1A1POLB
SCHEMBL18182256 0.90 PTGS1 (0.36) PTGS1PTGS2MRGPRX4ALDH1A1POLB
SCHEMBL18182575 0.90 PTGS1 (0.36) PTGS1PTGS2MRGPRX4ALDH1A1POLB
SCHEMBL18156111 0.90 MRGPRX4 (0.40) PTGS1PTGS2MRGPRX4ALDH1A1POLB

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 PTGS1 4413/4885PTGS2 4649/4885MRGPRX4 167/4885

“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.