SCHEMBL13545530

SCHEMBL13545530

COC(=O)C1Cc2ccccc2CN1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
MMP9 P14780 12/20 0.45
MMP1 P03956 7/20 0.45
MMP3 P08254 6/20 0.45
ADAM17 P78536 5/20 0.45
ADAM9 Q13443 5/20 0.45
MMP2 P08253 1/20 0.45
ANPEP P15144 1/20 0.45
AREG P15514 1/20 0.42
NR1D1 P20393 1/20 0.41
LIPE Q05469 1/20 0.41

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
SCHEMBL12992250 1.00 CHEK1 (0.46) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL29177033 0.85 CHEK1 (0.47) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL16879293 0.83 NR1D1 (0.59) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL15704265 0.83 CHEK1 (0.48) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL15704266 0.83 CHEK1 (0.48) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL12878828 0.83 CHEK1 (0.45) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL28611516 0.83 CHEK1 (0.45) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL29655525 0.83 CHEK1 (0.45) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL8278531 0.81 NOTUM (0.48) CHEK1JAK2MMP9MMP1MMP3
SCHEMBL32676972 0.81 ACE (0.54) CHEK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4276534-A1 MASK BLANK, RESIST PATTERN FORMING PROCESS AND CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION Shin-Etsu Chemical Co., Ltd. (JP) 2023-11-15 EP disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT CHEK1 4089/4885JAK2 1405/4885MMP9 1981/4885

“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.