SCHEMBL18178702

SCHEMBL18178702

CCC(=O)Oc1cccc(I)c1COc1cc(Cl)c(C)cc1C(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
AKR1C3 P42330 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MRGPRX4 Q96LA9 5/20 0.33
MAPT P10636 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
SLC26A3 P40879 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18178778 0.92 ACHE (0.36) ALDH1A1LMNAKDM4ENPSR1ACHE
SCHEMBL18178658 0.91 SLC22A12 (0.37) ALDH1A1LMNAAKR1C3SMN1; SMN2KDM4E
SCHEMBL18178703 0.91 ALDH1A1 (0.36) ALDH1A1AKR1C3ACHEMRGPRX4MAPT
SCHEMBL18182469 0.90 MRGPRX4 (0.36) ALDH1A1MRGPRX4KMT2AATML3MBTL1
SCHEMBL18178299 0.90 LMNA (0.38) ALDH1A1LMNAAKR1C3SMN1; SMN2KDM4E
SCHEMBL18178677 0.90 MRGPRX4 (0.36) ALDH1A1LMNASMN1; SMN2ACHENPC1
SCHEMBL18178699 0.89 ALDH1A1 (0.39) ALDH1A1RAB9AMAPTGAAKMT2A
SCHEMBL18178674 0.89 MRGPRX4 (0.39) ALDH1A1LMNAAKR1C3SMN1; SMN2KDM4E
SCHEMBL18178597 0.89 MRGPRX4 (0.35) ALDH1A1LMNAKDM4ENPSR1ACHE
SCHEMBL18178649 0.88 ACHE (0.36) ALDH1A1LMNAAKR1C3SMN1; SMN2KDM4E

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 3176/4885LMNA 4171/4885AKR1C3 720/4885

“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.