SCHEMBL18749570

SCHEMBL18749570

CCC(=O)N(CC)c1cccc(F)c1COc1ccc(C)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.44
▸ LTB4R Q15722 2/20 0.41
▸ LTB4R2 Q9NPC1 2/20 0.41
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 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
SCHEMBL18749569 0.90 MRGPRX4 (0.46) MRGPRX4MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18514933 0.89 FFAR4 (0.39) MRGPRX4LTB4RLTB4R2HSD17B10ALDH1A1
SCHEMBL18749467 0.88 MRGPRX4 (0.45) MRGPRX4LTB4RLTB4R2MEN1KMT2A
SCHEMBL18749481 0.88 MRGPRX4 (0.45) MRGPRX4MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18749275 0.88 MRGPRX4 (0.45) MRGPRX4LTB4RLTB4R2MEN1KMT2A
SCHEMBL18749330 0.88 MRGPRX4 (0.45) MRGPRX4MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18749538 0.87 MRGPRX4 (0.42) MRGPRX4LTB4RLTB4R2MEN1KMT2A
SCHEMBL18749721 0.87 MRGPRX4 (0.42) MRGPRX4LTB4RLTB4R2MEN1KMT2A
SCHEMBL18749325 0.87 MRGPRX4 (0.44) MRGPRX4MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18749327 0.87 MRGPRX4 (0.44) MRGPRX4LTB4RLTB4R2MEN1KMT2A

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-9907307-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-06 — — US disclosed
US-9788547-B2 Aromatic compound and uses thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-17 — — US disclosed
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — US disclosed
US-20170105413-A1 AROMATIC COMPOUND AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-04-20 — — 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 (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 MRGPRX4 959/4885LTB4R 4616/4885LTB4R2 4611/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 MRGPRX4 778/4885LTB4R 3746/4885LTB4R2 3416/4885

“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.

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