SCHEMBL18182020

SCHEMBL18182020

CCC(=O)Oc1cccc(F)c1COc1cc(F)c(CC)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 2/20 0.40
MAPT P10636 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL18156240 0.94 MRGPRX4 (0.40) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18182640 0.93 MRGPRX4 (0.41) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18183048 0.93 MRGPRX4 (0.41) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18181994 0.91 ALDH1A1 (0.38) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18182988 0.91 ALDH1A1 (0.42) ALDH1A1POLBRAB9AMAPTMRGPRX4
SCHEMBL18182043 0.91 MRGPRX4 (0.38) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18183009 0.91 MRGPRX4 (0.40) ALDH1A1POLBMRGPRX4SMN1; SMN2KMT2A
SCHEMBL18181986 0.90 MRGPRX4 (0.37) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18182016 0.90 MRGPRX4 (0.37) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18182446 0.90 ALDH1A1 (0.43) ALDH1A1POLBRAB9ADHODHMAPT

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.