SCHEMBL18182829

SCHEMBL18182829

CCc1cc(C(F)F)c(OCc2c(I)cccc2OC(=O)OC)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
KAT6A Q92794 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 1/20 0.31
MRGPRX4 Q96LA9 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL18156227 0.91 ACLY (0.34) ALDH1A1POLBHPGDHSD17B10LTB4R
SCHEMBL18182810 0.91 ALDH1A1 (0.38) ALDH1A1POLBHPGDHSD17B10LTB4R
SCHEMBL18182478 0.91 KDM4E (0.33) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL18182980 0.90 KDM4E (0.32) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL18182454 0.90 LMNA (0.37) ALDH1A1POLBHPGDLTB4RLTB4R2
SCHEMBL18182472 0.90 ALDH1A1 (0.37) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL18182448 0.89 KDM4E (0.34) ALDH1A1KDM4EHPGDHSD17B10LTB4R
SCHEMBL18182937 0.89 HPGD (0.34) ALDH1A1KDM4EHPGDHSD17B10LTB4R
SCHEMBL18182191 0.89 MRGPRX4 (0.36) ALDH1A1POLBKDM4EHPGDHSD17B10
SCHEMBL18178203 0.89 MRGPRX4 (0.35) KDM4EHPGDHSD17B10MEN1KMT2A

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 3778/4885KDM4E 2107/4885

“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.