SCHEMBL3431906

SCHEMBL3431906

CCC1(O)Oc2ccccc2CC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
PPARG P37231 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL22325532 0.71 TSHR (0.39) SMN1; SMN2CYP1A2CYP2D6PKMTSHR
SCHEMBL28970780 0.71 KMT2A (0.34) PKMTP53MAPTGAAAKR1B1
SCHEMBL30361544 0.71 CYP2C9 (0.41) SMN1; SMN2CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL22325534 0.68 NFKB1 (0.35) SMN1; SMN2CYP1A2CYP2D6PKMTSHR
SCHEMBL7420613 0.67 PPARA (0.44) SMN1; SMN2CYP1A2CYP2D6PKMTSHR
SCHEMBL3380544 0.67 PPARA (0.44) SMN1; SMN2CYP1A2CYP2D6PKMTSHR
SCHEMBL27679509 0.66 GAA (0.33) SMN1; SMN2CYP1A2CYP2D6PKMTSHR
SCHEMBL5022990 0.66 HTT (0.43) SMN1; SMN2TSHRMAPTKDM4EAKR1B1
SCHEMBL5022994 0.66 GRM7 (0.35) SMN1; SMN2TSHRCYP2C19TP53MAPT
Bicarbonate SCHEMBL8124381 0.65 GPBAR1 (0.44) TSHRTP53MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450787-A4 FORMULATIONS AND METHODS FOR TREATMENT OR AMELIORATION OF INFLAMMATORY CONDITIONS GALILEO PHARMACEUTICALS INC (US) 2006-01-25 EP claimed
EP-1450787-A2 FORMULATIONS AND METHODS FOR TREATMENT OR AMELIORATION OF INFLAMMATORY CONDITIONS Galileo Laboratories, Inc. (US) 2004-09-01 EP claimed
WO-2003043570-A2 FORMULATIONS AND METHODS FOR TREATMENT OR AMELIORATION OF INFLAMMATORY CONDITIONS GALILEO LABORATORIES, INC. (US) 2003-05-30 WO claimed
WO-2025101983-A1 NON-STEROIDAL ISONITRILE BINDING COMPOUNDS OF CYTOCHROME P450 SUBTYPES BRANDEIS UNIVERSITY (US) 2025-05-15 WO disclosed
US-20240051932-A1 LABILE AND COHERENT REDOX-SILENT ANALOGUES FOR VITAMIN E ENHANCEMENT HERMAY LABS CORP (US) 2024-02-15 US disclosed
WO-2022087735-A1 LABILE AND COHERENT REDOX-SILENT ANALOGUES FOR VITAMIN E ENHANCEMENT HERMAY LABS CORPORATION (CA) 2022-05-05 WO disclosed
US-11129554-B2 Sweat monitoring and control of drug delivery UNIVERSITY OF CINCINNATI (US) 2021-09-28 US disclosed
US-20180344221-A1 SWEAT MONITORING AND CONTROL OF DRUG DELIVERY UNIV CINCINNATI (US) 2018-12-06 US disclosed
US-20180344222-A1 SWEAT MONITORING AND CONTROL OF DRUG DELIVERY UNIV CINCINNATI (US) 2018-12-06 US disclosed
US-20180344223-A1 SWEAT MONITORING AND CONTROL OF DRUG DELIVERY UNIV CINCINNATI (US) 2018-12-06 US disclosed
US-20180344224-A1 SWEAT MONITORING AND CONTROL OF DRUG DELIVERY UNIV CINCINNATI (US) 2018-12-06 US disclosed
JP-2007277187-A NEW FAT CELL DIFFERENTIATION INHIBITOR OCHANOMIZU UNIV 2007-10-25 JP disclosed
EP-1199075-B1 The use of gamma-CEHC as antioxidants EISAI R&D MAN CO LTD (JP) 2007-04-18 EP disclosed
EP-1596857-A2 CHROMAN-DERIVED ANTI-ANDROGENS FOR THE TREATMENT OF ANDROGEN-MEDIATED DISORDERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-11-23 EP disclosed
WO-2005011658-A2 CHROMAN-DERIVATED ANTI-ANDROGENS FOR TREATMENT OF ANDROGEN-MEDIATED DISORDERS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-02-10 WO disclosed
US-6780886-B2 ADMINISTERING 2,5,7,8-TETRAMETHYL-2-( BETA-CARBOXYETHYL)-6-HYDROXYCHROMANE, OR 2,7,8-TRIMETHYL-2-(BETA-CARBOXYETHYL)-6-HYDROXYCHROMANE; TREATING ARTERIOSCLEROSIS, DISEASE CAUSED BY OXIDATED LOW DENSITY LIPOPROTEIN EISAI CO., LTD. (JP) 2004-08-24 US disclosed
WO-2002047680-A9 USE OF TOCOPHEROL, METABOLITES OR DERIVATIVES THEREOF OR FLAVONOID METABOLITES OR DERIVATIVES THEREOF IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TISSUE ISCHEMIA GALILEO LAB INC (US) 2003-10-09 WO disclosed
WO-2002047680-A2 USE OF TOCOPHEROL, METABOLITES OR DERIVATIVES THEREOF OR FLAVONOID METABOLITES OR DERIVATIVES THEREOF IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TISSUE ISCHEMIA GALILEO LABORATORIES, INC. (US) 2002-06-20 WO disclosed
EP-1199075-A2 Use of vitamine E metabolites alpha-CEHC and gamma-CEHC as antioxidants Eisai Co., Ltd. (JP) 2002-04-24 EP disclosed
US-20020040053-A1 Antioxidant containing vitamin E metabolite MITSUBISHI-CHEMICAL FOODS CORPORATION (JP) 2002-04-04 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 (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-20020040053-A1 Antioxidant containing vitamin E metabolite TTPA, TXNRD2, CYP27B1 SMN1; SMN2 2084/4885CYP1A2 450/4885CYP2D6 652/4885
US-20240051932-A1 LABILE AND COHERENT REDOX-SILENT ANALOGUES FOR VITAMIN E ENHANCEMENT TTPA, GPX4, PROC SMN1; SMN2 3620/4885CYP1A2 359/4885CYP2D6 841/4885

“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.