SCHEMBL713026

SCHEMBL713026

CCC(C)c1cc(C(C)(C)CC)cc(-n2nc3ccc(C(C)(C)C)cc3n2)c1O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SCN10A Q9Y5Y9 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL708739 0.96 RORC (0.40) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL3191876 0.93 RORC (0.44) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5804791 0.89 NPC1 (0.43) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL29706550 0.88 RORC (0.40) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL710416 0.88 RORC (0.40) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL712574 0.85 RORC (0.34) RORCNPC1RAB9A
SCHEMBL78803 0.84 NPC1 (0.45) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL29463599 0.84 NPC1 (0.45) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5447098 0.83 RORC (0.39) RORCNPC1RAB9ACYP1A2CYP3A4
SCHEMBL7537640 0.82 RORC (0.37) RORCNPC1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247571-B2 Pyridinium and thiazolium conjugates including polyethylene glycols and methods of using the same MYCOSOL, INC. (US) 2012-08-21 US disclosed
US-8124626-B2 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. (US) 2012-02-28 US disclosed
US-20110053987-A1 PYRIDINIUM AND THIAZOLIUM CONJUGATES INCLUDING POLYETHYLENE GLYCOLS AND METHODS OF USING THE SAME MYCOSOL, INC. 2011-03-03 US disclosed
US-7820696-B2 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. (US) 2010-10-26 US disclosed
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS KLEIN RICHARD B 2010-10-21 US disclosed
US-7547444-B1 Methods for controlling fungi and bacteria MYCOSOL, INC. (US) 2009-06-16 US disclosed
US-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA MYCOSOL, INC. 2009-05-28 US disclosed
EP-1601652-B1 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL INC (US) 2008-07-30 EP disclosed
WO-2008088917-A2 METHODS OF USING PYRIDINIUM AND THIAZOLIUM COMPOUNDS AS REAGENTS, DIAGNOSTIC COMPOUNDS AND THERAPEUTIC AGENTS MYCOSOL, INC. (US) 2008-07-24 WO disclosed
EP-1830846-A4 THIAZOLIUM COMPOUNDS AND USES THEREOF MYCOSOL INC (US) 2008-07-02 EP disclosed
WO-2007056556-A2 POLYETHYLENE GLYCOL CONJUGATES OF PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME MYCOSOL, INC. (US) 2007-05-18 WO disclosed
WO-2006065942-A2 THIAZOLIUM COMPOUNDS AND USES THEREOF MYCOSOL, INC. (US) 2006-06-22 WO disclosed
EP-1601652-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE Mycosol, Inc. (US) 2005-12-07 EP disclosed
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects MYCOSOL, INC. 2004-11-25 US disclosed
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts MYCOSOL, INC. 2004-11-11 US disclosed
WO-2004078136-A2 PYRIDINIUM SALTS, COMPOUNDS AND METHODS OF USE MYCOSOL, INC. (US) 2004-09-16 WO disclosed
US-5443909-A Heat sensitive recordin material; substrate, recording layer containing colorless basic dye and protective coatings KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1995-08-22 US disclosed
EP-0545442-B1 Microcapsule containing ultraviolet absorber and heat sensitive recording material using the same NEW OJI PAPER CO LTD (JP) 1995-04-05 EP disclosed
US-5272127-A Heat sensitive recording material using microcapsules containing ultraviolet absorber KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1993-12-21 US disclosed
EP-0545442-A1 Microcapsule containing ultraviolet absorber and heat sensitive recording material using the same NEW OJI PAPER CO., LTD. (JP) 1993-06-09 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 (5 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-20090137639-A1 METHODS FOR CONTROLLING FUNGI AND BACTERIA PNPO, BLVRB, DPM1 RORC 3841/4885NPC1 4376/4885RAB9A 3300/4885
US-20040235898-A1 Compounds and methods for controlling fungi, bacteria and insects BLVRB, PNPO, PLPBP RORC 4211/4885NPC1 3954/4885RAB9A 3091/4885
US-20110053987-A1 PYRIDINIUM AND THIAZOLIUM CONJUGATES INCLUDING POLYETHYLENE GLYCOLS AND METHODS OF USING THE SAME PLPBP, PTPMT1, PNPO RORC 2127/4885NPC1 3813/4885RAB9A 4085/4885
US-20100267716-A1 METHODS OF TREATING INFLAMMATIONS AND INFECTIONS WITH PYRIDINIUM SALTS PNPO, PLPBP, TPMT RORC 245/4885NPC1 3038/4885RAB9A 4725/4885
US-20040224984-A1 Methods of treating inflammations and infections with pyridinium salts PNPO, PLPBP, TPMT RORC 245/4885NPC1 3038/4885RAB9A 4725/4885

“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.