SCHEMBL2176872

SCHEMBL2176872

Cc1c(C)c2c(c(C)c1O)CCC(C)(CO)O2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.61
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
USP2 O75604 2/20 0.59
CYP2C9 P11712 2/20 0.59
MEN1 O00255 2/20 0.59
GSTP1 P09211 1/20 0.59
TTPA P49638 1/20 0.59
THRB P10828 1/20 0.59
CYP2C19 P33261 1/20 0.59
CYP3A4 P08684 2/20 0.57
TSHR P16473 2/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
CYP1A2 P05177 1/20 0.57
ALOX5 P09917 5/20 0.56
CYP4F2 P78329 1/20 0.51
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL5672019 1.00 NR1I2 (0.61) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL5672022 1.00 NR1I2 (0.61) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL26427359 0.88 NR1I2 (0.48) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL26427552 0.88 NR1I2 (0.48) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL15150901 0.88 NR1I2 (0.48) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL4271100 0.88 NR1I2 (0.65) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL30859422 0.88 NR1I2 (0.65) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL8935461 0.88 NR1I2 (0.65) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL8935467 0.88 NR1I2 (0.65) NR1I2MAPTLMNAKMT2AUSP2
SCHEMBL23692465 0.87 MAPT (0.59) NR1I2MAPTLMNAKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES BIOELECTRON TECHNOLOGY CORPORATION 2016-11-10 US claimed
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS INC. 2013-10-10 US claimed
WO-2005032544-A1 TREATMENT OF MITOCHONDRIAL DISEASES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO claimed
US-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects EDISON PHARMACEUTICALS, INC. 2005-03-24 US claimed
EP-0566718-A1 STABILIZERS FOR PLASTIC MATERIALS Ciba SC Holding AG (CH) 1993-10-27 EP claimed
WO-1993010175-A1 STABILIZERS FOR PLASTIC MATERIALS F. HOFFMANN-LA ROCHE AG (CH) 1993-05-27 WO claimed
EP-0445735-A1 Melanogenesis-inhibiting endermic preparation Sansho Seiyaku Co., Ltd. (JP) 1991-09-11 EP claimed
JP-1068366-A None JP disclosed
US-11717490-B2 Therapeutic nanocarrier system and methods of use UNIVERSITY OF CYPRUS (CY) 2023-08-08 US disclosed
EP-4161492-A1 THERAPEUTIC NANOCARRIER SYSTEM AND METHODS OF USE University Of Cyprus (CY) 2023-04-12 EP disclosed
WO-2021069753-A1 NEW PROCESS FOR THE MANUFACTURE OF FEED ADDITIVES OF CAROTENOIDS DSM IP ASSETS B.V. (NL) 2021-04-15 WO disclosed
EP-3377179-B1 DEUTERATED EPI-743 CONCERT PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
EP-3377179-B1 DEUTERATED EPI-743 CONCERT PHARMACEUTICALS INC (US) 2021-04-07 EP disclosed
US-4201879-A Hydroquinones HOFFMANN-LA ROCHE INC. (US) 1980-05-06 US disclosed
US-4189612-A S-(+) 2,3,6-trimethyl-5-(2,2,4-trimethyl-1,3-dioxolane-4-ethyl)phenol HOFFMANN-LA ROCHE INC. (US) 1980-02-19 US disclosed
US-4182719-A Synthesis of optically active vitamin E HOFFMAN-LA ROCHE INC. (US) 1980-01-08 US disclosed
US-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US disclosed
US-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US disclosed
US-4151177-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1979-04-24 US disclosed
US-4113740-A Synthesis of optically active vitamin E HOFFMANN-LA ROCHE INC. (US) 1978-09-12 US 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 (3 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-20050065099-A1 Alzheimer's disease; Parkinson's disease; brain disorders; antiepileptic agents; amyotrophic lateral sclerosis; vision defects CLN6, LDHA, NLN NR1I2 2593/4885MAPT 37/4885LMNA 260/4885
US-20160324823-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 NR1I2 2663/4885MAPT 159/4885LMNA 384/4885
US-20130267538-A1 TREATMENT OF MITOCHONDRIAL DISEASES NLN, FH, MFN2 NR1I2 2663/4885MAPT 159/4885LMNA 384/4885

“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.