SCHEMBL18178591

SCHEMBL18178591

CCC(=O)Oc1cccc(Cl)c1COc1cc(F)c(C)cc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.36
PPARD Q03181 2/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35

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
SCHEMBL18178771 0.93 MRGPRX4 (0.37) ALDH1A1POLBMAPTKMT2AATM
SCHEMBL18178703 0.92 ALDH1A1 (0.36) ALDH1A1POLBMAPTKMT2AATM
SCHEMBL18183036 0.91 ALDH1A1 (0.39) ALDH1A1POLBMAPTKMT2AATM
SCHEMBL18178599 0.90 SLC22A12 (0.38) ALDH1A1KMT2AATMMRGPRX4SGMS2
SCHEMBL18178596 0.90 MRGPRX4 (0.37) PPARDMRGPRX4
SCHEMBL18178207 0.90 ALDH1A1 (0.39) ALDH1A1POLBMAPTKMT2AATM
SCHEMBL18178606 0.89 PTGS1 (0.36) ALDH1A1POLBMAPTKMT2AMRGPRX4
SCHEMBL18178576 0.89 MRGPRX4 (0.42) ALDH1A1POLBMAPTKMT2ARAB9A
SCHEMBL18178555 0.89 ALDH1A1 (0.39) ALDH1A1POLBMAPTKMT2ARAB9A
SCHEMBL18178544 0.89 MRGPRX4 (0.40) ALDH1A1POLBMAPTKMT2ARAB9A

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 ALDH1A1 3176/4885POLB 3778/4885MAPT 4572/4885

“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.