SCHEMBL4998169

SCHEMBL4998169

CC(=O)c1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ PDK2 Q15119 2/20 0.47
▸ HSD17B1 P14061 1/20 0.41
▸ S100A4 P26447 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ MAOB P27338 4/20 0.36
▸ MAOA P21397 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 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
SCHEMBL15449473 0.90 MAPT (0.45) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL15040998 0.89 MAPT (0.57) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL21333830 0.87 SRD5A2 (0.53) PDK2KMT2AMEN1SRD5A1SRD5A2
SCHEMBL15040977 0.86 MAPT (0.53) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL16891327 0.85 PDK2 (0.49) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL15040961 0.84 MAPT (0.52) MAPTRAB9ANPC1PDK2HSD17B1
SCHEMBL14691381 0.83 GSK3B (0.51) PDK2SRD5A1SRD5A2ALDH1A1HPGD
SCHEMBL21551956 0.83 MAPT (0.39) MAPTPDK2KMT2ASRD5A1SRD5A2
SCHEMBL14691482 0.83 GSK3B (0.39) MAPTNPC1PDK2SRD5A1SRD5A2
SCHEMBL15040978 0.82 MAPT (0.53) MAPTRAB9ANPC1PDK2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013021344-A1 IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS LUPIN LIMITED (IN) 2013-02-14 — — WO disclosed
WO-2013021344-A1 IMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS LUPIN LIMITED (IN) 2013-02-14 — — WO disclosed
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 — — US disclosed
EP-1842097-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS Mempile Inc. (US) 2007-10-10 — — EP disclosed
WO-2006075328-A1 COMPOUNDS HAVING IMPROVED 2-PHOTON ABSORBANCE FOR NONLINEAR APPLICATIONS MEMPILE INC. (US) 2006-07-20 — — 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-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications HTR3D, CRY2, CNDP2 MAPT 825/4885RAB9A 1593/4885NPC1 170/4885

“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