SCHEMBL18178748

SCHEMBL18178748

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
DHODH Q02127 2/20 0.39
MAPT P10636 1/20 0.39
GUCY1B2 O75343 3/20 0.38
GUCY1A2 P33402 3/20 0.38
GUCY1A1 Q02108 3/20 0.38
GUCY1B1 Q02153 3/20 0.38
KMT2A Q03164 3/20 0.37
SGMS2 Q8NHU3 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL18178551 0.94 ALDH1A1 (0.39) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18178653 0.94 ALDH1A1 (0.39) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18181994 0.92 ALDH1A1 (0.38) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18178719 0.89 KMT2A (0.41) ALDH1A1RAB9AKMT2AACHEMEN1
SCHEMBL18178732 0.89 SLC22A12 (0.41) ALDH1A1RAB9AMAPTKMT2ASGMS2
SCHEMBL18178706 0.89 MRGPRX4 (0.40) ALDH1A1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL18178745 0.89 MRGPRX4 (0.43) ALDH1A1RAB9AMAPTGUCY1B2GUCY1A2
SCHEMBL18178354 0.88 DHODH (0.41) ALDH1A1POLBRAB9ADHODHGUCY1B2
SCHEMBL18178639 0.87 ALDH1A1 (0.39) ALDH1A1POLBRAB9ADHODHMAPT
SCHEMBL18182020 0.87 ALDH1A1 (0.41) 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.