SCHEMBL18749859

SCHEMBL18749859

CNC(=O)Cc1cccc(Cl)c1COc1cc(C)c(C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PTGER1 P34995 2/20 0.39
▸ PTGER4 P35408 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.36
▸ KCNJ5 P48544 1/20 0.36
▸ KCNJ3 P48549 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ LMNA P02545 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
SCHEMBL18749647 0.93 SLC22A12 (0.43) MRGPRX4ALDH1A1HDAC8FFAR1FFAR4
SCHEMBL18749653 0.93 MAPT (0.44) KMT2AMRGPRX4ALDH1A1PTGER1PTGER4
SCHEMBL18515236 0.92 KMT2A (0.39) KMT2AMRGPRX4ALDH1A1PTGER1PTGER4
SCHEMBL18749980 0.92 MRGPRX4 (0.40) KMT2AMRGPRX4HDAC8FFAR1FFAR4
SCHEMBL18749701 0.91 MRGPRX4 (0.38) MRGPRX4HDAC8SLC22A12ANO1CD274
SCHEMBL18749633 0.90 MRGPRX4 (0.38) MRGPRX4HDAC8FFAR1FFAR4FABP4
SCHEMBL18749787 0.90 MRGPRX4 (0.38) KMT2AMRGPRX4HDAC8FFAR4SLC22A12
SCHEMBL18749698 0.90 TP53 (0.43) MRGPRX4ALDH1A1TP53LMNA
SCHEMBL18749848 0.90 TP53 (0.43) KMT2AALDH1A1PTGER1PTGER4PTGER3
SCHEMBL18749977 0.89 ALDH1A1 (0.40) KMT2AMRGPRX4ALDH1A1TP53ANO1

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-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

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 KMT2A 705/4885MRGPRX4 959/4885ALDH1A1 1238/4885
US-20170105416-A1 AROMATIC COMPOUND AND USES THEREOF TYR, H1-3, H1-10 KMT2A 1447/4885MRGPRX4 778/4885ALDH1A1 1416/4885

“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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