SCHEMBL18704004

SCHEMBL18704004

Oc1ccc2ccc(-c3cccc4ccccc34)cc2c1-c1c(O)ccc2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.60
▸ ACMSD Q8TDX5 1/20 0.60
▸ TLR8 Q9NR97 1/20 0.49
▸ ALOX5 P09917 4/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46
▸ APP P05067 1/20 0.46
▸ CA12 O43570 2/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ NSD2 O96028 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL29587524 1.00 MCL1 (0.60) MCL1ACMSDTLR8ALOX5PTPN22
SCHEMBL10028244 0.90 MCL1 (0.57) MCL1ACMSDTLR8ALOX5NSD2
SCHEMBL28350260 0.84 APP (0.67) MCL1ACMSDTLR8ALOX5APP
SCHEMBL29744510 0.84 APP (0.67) MCL1ACMSDTLR8ALOX5APP
SCHEMBL57214 0.83 MCL1 (0.54) MCL1ACMSDCA12CA1CA2
SCHEMBL11782188 0.82 MCL1 (0.64) MCL1ACMSDTLR8ALOX5PTPN22
SCHEMBL4444811 0.81 ALDH1A1 (0.56) MCL1ACMSDCA12CA1CA2
SCHEMBL29770949 0.81 MCL1 (0.46) MCL1ACMSDTLR8ALOX5CA12
SCHEMBL18736016 0.80 ALOX5 (0.66) ACMSDALOX5PTPN22CA1CA2
Hydrochloric Acid SCHEMBL29492626 0.80 NSD2 (0.51) MCL1ACMSDALOX5PTPN22CA12

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-10982149-B2 Chiral compounds MERCK PATENT GMBH (DE) 2021-04-20 — — US disclosed
EP-3359625-B1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2019-10-23 — — EP disclosed
US-20180291271-A1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2018-10-11 — — US disclosed
WO-2017059942-A1 CHIRAL COMPOUNDS MERCK PATENT GMBH (DE) 2017-04-13 — — WO 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-10982149-B2 Chiral compounds FANCI, COL1A1, LCP1 MCL1 3413/4885ACMSD 501/4885TLR8 4323/4885

“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.

Send feedback