SCHEMBL4253904

SCHEMBL4253904

C=C(C)C(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1-n1nc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.50
RAB9A P51151 8/20 0.50
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
HPGD P15428 7/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
IGF2BP2 Q9Y6M1 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 4/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4649274 0.85 NPC1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL11541708 0.83 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL11542384 0.82 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
Octrizole SCHEMBL5072028 0.81 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
Benzene SCHEMBL9190034 0.80 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL11540965 0.80 NPC1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL285733 0.79 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL29575333 0.79 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL28065049 0.77 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL226072 0.77 IDH1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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
US-20090036555-A1 Stabilization of iodine biocides LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 US disclosed
EP-1926367-A1 STABILIZATION OF IODINE BIOCIDES Lanxess Deutschland GmbH & Co.KG (DE) 2008-06-04 EP disclosed
WO-2007028527-A1 STABILIZATION OF IODINE BIOCIDES LANXESS DEUTSCHLAND GMBH (DE) 2007-03-15 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-20090036555-A1 Stabilization of iodine biocides LCT, BTD, HDHD5 NPC1 4023/4885RAB9A 2647/4885ALDH1A1 312/4885

“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.