SCHEMBL18514522

SCHEMBL18514522

CCc1ccc(OCc2ccccc2NC(=O)OC)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
CD274 Q9NZQ7 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
GAA P10253 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL18514940 0.89 KMT2A (0.42) HTTLMNASMN1; SMN2MAPTNPC1
SCHEMBL18514525 0.89 MRGPRX4 (0.41) HTTLMNASMN1; SMN2MAPTCD274
SCHEMBL18514284 0.88 TNKS2 (0.44) HTTLMNASMN1; SMN2MAPTCD274
SCHEMBL18515397 0.87 FFAR4 (0.48) MAPTCD274RAB9AMEN1KMT2A
SCHEMBL18748784 0.87 MRGPRX4 (0.50) HTTLMNASMN1; SMN2MAPTCD274
SCHEMBL18513856 0.86 NPC1 (0.48) SMN1; SMN2MAPTCD274NPC1RAB9A
SCHEMBL18515002 0.86 KMT2A (0.41) HTTLMNASMN1; SMN2MAPTCD274
SCHEMBL18760766 0.86 MAPT (0.47) SMN1; SMN2MAPTCD274NPC1RAB9A
SCHEMBL18515426 0.85 MRGPRX4 (0.45) LMNAPKMMEN1KMT2AKDM4E
SCHEMBL18514528 0.85 SMN1; SMN2 (0.39) HTTSMN1; SMN2MAPTPKMNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3130584-A1 AROMATIC COMPOUND AND USES THEREOF Sumitomo Chemical Company Limited (JP) 2017-02-15 EP 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 (2 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-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-0 HTT 2020/4885LMNA 2808/4885SMN1; SMN2 3813/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 HTT 2506/4885LMNA 3163/4885SMN1; SMN2 4067/4885

“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.