SCHEMBL471443

SCHEMBL471443

CC(=O)c1cc(C)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
NR2F2 P24468 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HMGB1 P09429 1/20 0.42
CXCL12 P48061 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SELL P14151 1/20 0.39
SELP P16109 1/20 0.39
SELE P16581 1/20 0.39
MMP1 P03956 1/20 0.38

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
SCHEMBL910132 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29670017 0.84 ALDH1A1 (0.48) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL28413744 0.84 ALDH1A1 (0.48) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL3659922 0.82 SELL (0.56) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL9753149 0.82 CA5A (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL122472 0.82 HMGB1 (0.62) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL30706280 0.82 HMGB1 (0.62) KDM4EALDH1A1MAPTLMNAGAA
SCHEMBL6900728 0.80 CA5A (0.48) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL6175983 0.80 CSNK2A1 (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL23685779 0.80 KDM4E (0.50) KDM4EALDH1A1MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 US disclosed
EP-4038054-A1 PYRIMIDINEDIONE DERIVATIVES Bayer Aktiengesellschaft (DE) 2022-08-10 EP disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
WO-2021063821-A1 PYRIMIDINEDIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-08 WO disclosed
US-9795549-B2 1,2-alkane polyol-containing composition OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-10-24 US disclosed
US-20160045414-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-02-18 US disclosed
EP-2985017-A1 1,2-ALKANE POLYOL-CONTAINING COMPOSITION Osaka Organic Chemical Ind., Ltd. (JP) 2016-02-17 EP disclosed
CN-105142605-A 1, 2-alkane polyol-containing composition OSAKA ORGANIC CHEM IND 2015-12-09 CN disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
US-6657052-B1 Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. UNIVERSITY OF ARKANSAS 2003-12-02 US disclosed
CN-1063440-C Process for the desulfurization and the desalting of fossil fuels RHONE ROULENC AGROCHIMIE CORP (FR) 2001-03-21 CN disclosed
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed
US-5672722-A COUMARAN OR CHROMAN DERIVATIVES INCLUDED IN SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL PREVENT FADING AND DISCOLORATION OF IMAGES FUJI PHOTO FILM CO., LTD. (JP) 1997-09-30 US disclosed
US-5534390-A Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1996-07-09 US disclosed
EP-0638070-A1 FUNGICIDAL ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1995-02-15 EP disclosed
CN-1079735-A Arylpyrazole mycocide ENERGY BIOSYSTEMS CORP (FR) 1993-12-22 CN disclosed
WO-1993022287-A1 FUNGICIDAL ARYLPYRAZOLES RHONE POULENC AGROCHIMIE (FR) 1993-11-11 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 (2 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-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 KDM4E 4218/4885ALDH1A1 259/4885MAPT 3610/4885
US-20220411381-A1 PYRIMIDINEDIONE DERIVATIVES DPYD, TYMP, TYMS KDM4E 2647/4885ALDH1A1 529/4885MAPT 4221/4885

“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.