SCHEMBL18178587

SCHEMBL18178587

CCC(=O)Oc1cccc(Cl)c1COc1cc(F)c(C)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
MAPK14 Q16539 1/20 0.36
MRGPRX4 Q96LA9 4/20 0.36
SGMS2 Q8NHU3 1/20 0.36
NPC1 O15118 1/20 0.35
KMT2A Q03164 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
SCHEMBL18182022 0.92 MRGPRX4 (0.41) ALDH1A1POLBRAB9AMAPTPTGER1
SCHEMBL18182029 0.92 ALDH1A1 (0.39) ALDH1A1POLBRAB9AMAPTPTGER1
SCHEMBL18178555 0.91 ALDH1A1 (0.39) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18178544 0.91 MRGPRX4 (0.40) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18178576 0.91 MRGPRX4 (0.42) ALDH1A1POLBRAB9AMAPTPTGER1
SCHEMBL18178759 0.91 PTGER1 (0.39) ALDH1A1RAB9APTGER1PTGER4PTGER3
SCHEMBL18178183 0.90 ALDH1A1 (0.39) ALDH1A1POLBRAB9AMAPTPTGER1
SCHEMBL18530987 0.90 PTGER1 (0.38) MAPTPTGER1PTGER4PTGER3PTGER2
SCHEMBL18178590 0.90 SLC22A12 (0.39) ALDH1A1MAPTPTGER1MRGPRX4SGMS2
SCHEMBL18178594 0.90 MRGPRX4 (0.38) ALDH1A1MRGPRX4KMT2A

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 3778/4885RAB9A 1136/4885

“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.