SCHEMBL4401381

SCHEMBL4401381

O=C(OC1CCCCC1)C1(Br)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
EPHX1 P07099 2/20 0.41
CHRM3 P20309 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
NAAA Q02083 2/20 0.36
HSD11B1 P28845 1/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 3/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32

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
SCHEMBL5493739 0.79 CYP2C19 (0.52) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL9485096 0.79 CYP2C19 (0.52) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL16086282 0.77 CYP2C19 (0.48) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL3781529 0.76 CYP2C19 (0.49) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL28778803 0.75 CYP2C19 (0.52) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL16086274 0.75 CYP2C19 (0.47) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL3747758 0.74 CYP3A4 (0.49) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL16086398 0.74 CYP2C19 (0.47) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL16086650 0.74 CYP2C19 (0.47) CYP2C19EPHX1CHRM3MAPTCA12
SCHEMBL1604408 0.74 NPSR1 (0.48) MAPTALDH1A1TSHRNPSR1

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
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 EP disclosed
US-6846607-B2 Carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2005-01-25 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 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 (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-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 CYP2C19 1935/4885EPHX1 3321/4885CHRM3 1613/4885

“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.