SCHEMBL710416

SCHEMBL710416

CCC(C)c1cc(C(C)CC)c(O)c(-n2nc3ccc(C(C)(C)C)cc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN10A Q9Y5Y9 7/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL29706550 1.00 RORC (0.40) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL3191876 0.92 RORC (0.44) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL713026 0.88 RORC (0.40) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL708739 0.85 RORC (0.40) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL8777471 0.84 NPC1 (0.49) RORCNPC1RAB9ATSHRSCN10A
SCHEMBL709631 0.83 NPC1 (0.41) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL29438587 0.83 NPC1 (0.41) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL78803 0.82 NPC1 (0.45) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL29463599 0.82 NPC1 (0.45) RORCNPC1RAB9ATSHRCYP1A2
SCHEMBL5447098 0.82 RORC (0.39) RORCNPC1RAB9ATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758947-B1 HEAT SENSITIVE RECORDING MATERIAL AND COLOR DEVELOPER SOLENIS TECHNOLOGIES CAYMAN LP (KY) 2025-05-14 EP disclosed
US-11512048-B2 Heat sensitive recording material, and color developer SOLENIS TECHNOLOGIES, L.P. (US) 2022-11-29 US disclosed
US-20210002215-A1 HEAT SENSITIVE RECORDING MATERIAL AND COLOR DEVELOPER SOLENIS TECHNOLOGIES CAYMAN, L.P. (KY) 2021-01-07 US disclosed
EP-3533619-A1 HEAT SENSITIVE RECORDING MATERIAL AND COLOR DEVELOPER BASF SE (DE) 2019-09-04 EP disclosed
EP-2794558-B1 HEAT SENSITIVE COATING COMPOSITION BASF SE (DE) 2017-04-26 EP disclosed
US-20140342293-A1 HEAT SENSITIVE COATING COMPOSITION BASF SE (DE) 2014-11-20 US disclosed
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-20050106491-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2005-05-19 US disclosed
EP-1480835-A1 HEAT SENSITIVE RECORDING MATERIAL Ciba SC Holding AG (CH) 2004-12-01 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-2003074285-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-09-12 WO disclosed
WO-2002078970-A1 HEAT SENSITIVE RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 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-20210002215-A1 HEAT SENSITIVE RECORDING MATERIAL AND COLOR DEVELOPER SCN1A, NCS1, SCN4A RORC 2026/4885NPC1 4413/4885RAB9A 2012/4885
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-11512048-B2 Heat sensitive recording material, and color developer SCN1A, NCS1, SCN5A RORC 1941/4885NPC1 4325/4885RAB9A 2153/4885
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.