SCHEMBL18178716

SCHEMBL18178716

CCC(=O)Oc1cccc(Cl)c1COc1cc(C)c(C)cc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.38
KMT2A Q03164 2/20 0.37
SGMS2 Q8NHU3 1/20 0.37
ACHE P22303 1/20 0.37
S1PR5 Q9H228 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL18178638 0.94 ALDH1A1 (0.39) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18178544 0.94 MRGPRX4 (0.40) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18182855 0.92 FFAR4 (0.39) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18178750 0.89 MRGPRX4 (0.40) ALDH1A1RAB9AMAPTMRGPRX4KMT2A
SCHEMBL18178706 0.89 MRGPRX4 (0.40) ALDH1A1MRGPRX4ACHE
SCHEMBL18178719 0.89 KMT2A (0.41) ALDH1A1RAB9AMRGPRX4KMT2AACHE
SCHEMBL18178709 0.89 SLC22A12 (0.41) ALDH1A1MRGPRX4KMT2ASGMS2ACHE
SCHEMBL18178345 0.88 SGMS2 (0.39) ALDH1A1POLBRAB9AMRGPRX4KMT2A
SCHEMBL18156164 0.88 ALDH1A1 (0.39) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18178639 0.87 ALDH1A1 (0.39) ALDH1A1POLBRAB9AMAPTMRGPRX4

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.