SCHEMBL2957161

SCHEMBL2957161

COc1cc(C(C)(C)C)ccc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALOX15 P16050 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 1/20 0.48
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
HTR2A P28223 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NR1H4 Q96RI1 3/20 0.40
EPHX2 P34913 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 2/20 0.38
DHODH Q02127 2/20 0.38
KMT2A Q03164 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
SCHEMBL13073510 0.86 HTR2A (0.43) HPGDALOX15LMNATP53CYP3A4
SCHEMBL10183552 0.86 PDE2A (0.44) HPGDALOX15LMNATP53CYP3A4
SCHEMBL28857734 0.84 CA1 (0.44) HPGDALOX15LMNACYP3A4CA1
SCHEMBL20441362 0.84 CNR2 (0.43) HPGDALOX15LMNATP53CYP3A4
SCHEMBL19318453 0.84 CYP3A4 (0.43) HPGDALOX15LMNATP53CYP3A4
SCHEMBL19323005 0.84 CNR2 (0.41) HPGDALOX15LMNATP53CYP3A4
SCHEMBL12894420 0.83 SMN1; SMN2 (0.38) HPGDALOX15LMNATP53CYP3A4
SCHEMBL26780223 0.83 LMNA (0.42) HPGDALOX15LMNATP53CYP3A4
SCHEMBL1535615 0.83 HPGD (0.48) HPGDALOX15LMNATP53CYP3A4
SCHEMBL179467 0.82 CA2 (0.50) HPGDALOX15CYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110323380-A A kind of float type fire-type ferric phosphate lithium cell group system and its charging method 上海航天电源技术有限责任公司 2019-10-11 CN claimed
EP-1733450-B1 REDOX SHUTTLE FOR RECHARGEABLE LITHIUM-ION CELL 3M INNOVATIVE PROPERTIES CO (US) 2010-12-08 EP claimed
US-7811710-B2 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-10-12 US claimed
US-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US claimed
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE BEONE MEDICINES I GMBH (CH) 2024-01-25 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. 2023-07-13 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-7648801-B2 Lithium battery with series-connected cells having a shuttle of 2,5-di-tert--butyl-1,4-dimethoxybenzene; limits the negative electrode potential to a value slightly above that of positive electrode maximum normal operating potential toprevent negative electrode from reaching a higher damaging one 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-01-19 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions ARBOR VITA CORPORATION (US) 2009-03-05 US disclosed
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions NONO INC. (CA) 2008-09-18 US disclosed
CN-1720287-A Monosubstituted 6-aminouracils for the stabilisation of halogenated polymers CROMPTON VINYL ADDITIVES GMBH (DE) 2006-01-11 CN disclosed
US-20050221168-A1 Redox shuttle for overdischarge protection in rechargeable lithium-ion batteries DAHN JEFFREY R 2005-10-06 US disclosed
US-20050221196-A1 Redox shuttle for rechargeable lithium-ion cell 3M INNOVATIVE PROPERTIES COMPANY 2005-10-06 US disclosed
CN-1111657-A Stabilized polyvinly chloride CIBA GEIGY AG (CH) 1995-11-15 CN 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 (8 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 HPGD 2492/4885ALOX15 4811/4885LMNA 4415/4885
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD HPGD 3838/4885ALOX15 4652/4885LMNA 4338/4885
US-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 HPGD 2524/4885ALOX15 3803/4885LMNA 373/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 HPGD 1303/4885ALOX15 3378/4885LMNA 334/4885
US-20240025902-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF EGFR AND RELATED METHODS OF USE EGFR, ERBB2, CBL HPGD 3988/4885ALOX15 4759/4885LMNA 3971/4885
US-20230219965-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS USP1, USP8, USP7 HPGD 3731/4885ALOX15 4808/4885LMNA 2679/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 HPGD 1470/4885ALOX15 521/4885LMNA 4162/4885
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD HPGD 3838/4885ALOX15 4652/4885LMNA 4338/4885

“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.