SCHEMBL3278926

SCHEMBL3278926

CCC(C)(C)c1c[c]c(Oc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LTA4H P09960 5/20 0.36
RIPK1 Q13546 1/20 0.35
CASP1 P29466 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33
MAOB P27338 5/20 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
SCHEMBL11686925 0.83 MAPT (0.40) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL2607726 0.78 NPC1 (0.70) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL5903663 0.77 TSHR (0.40) NPC1RAB9AMAPTLTA4HTSHR
SCHEMBL5666453 0.72 NPC1 (0.35) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL10745707 0.71 HRH3 (0.40) MAOBHRH3
SCHEMBL24368144 0.70 NPC1 (0.60) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL3051760 0.70 LTA4H (0.52) NPC1RAB9ALTA4HTSHRMAOB
SCHEMBL13997428 0.70 RAB9A (0.49) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL128091 0.69 NPC1 (0.81) NPC1RAB9APOLBCYP2C9MAPT
SCHEMBL3334894 0.69 SRD5A2 (0.43) MAPTLTA4HTSHR

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP claimed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (8 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 NPC1 3399/4885RAB9A 2016/4885POLB 2247/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA NPC1 911/4885RAB9A 3691/4885POLB 275/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 NPC1 4422/4885RAB9A 2827/4885POLB 3649/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 NPC1 1218/4885RAB9A 4418/4885POLB 2360/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA NPC1 313/4885RAB9A 3333/4885POLB 2533/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4521/4885RAB9A 2704/4885POLB 3737/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 NPC1 615/4885RAB9A 3501/4885POLB 2870/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR NPC1 4551/4885RAB9A 2770/4885POLB 3792/4885

“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.