SCHEMBL2435451

SCHEMBL2435451

CC1(C)CC(=O)CC(C)(C)P1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
MAPT P10636 2/20 0.32
BACE1 P56817 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HPGD P15428 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
CFTR P13569 1/20 0.31
GOPC Q9HD26 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL10412304 0.78 KDM1A (0.32)
SCHEMBL24535424 0.76 TDP2 (0.33) NPC1RAB9AALDH1A1CYP2C9CYP1A2
SCHEMBL350060 0.74 NPC1 (0.35) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL9479178 0.74 OPRM1 (0.32)
SCHEMBL24535419 0.72 MEN1 (0.41) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL24535435 0.71 CYP11B2 (0.37) ALDH1A1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL10177360 0.70 BRD4 (0.35) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL365324 0.70 ALDH1A1 (0.37) ALDH1A1CYP2C9CYP1A2CYP2C19LMNA
SCHEMBL411360 0.69 POLB (0.39) NPC1RAB9AALDH1A1CYP2C9CYP1A2
SCHEMBL19207380 0.68 ALDH1A1 (0.33) ALDH1A1LMNAMEN1KMT2AMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022132048-A1 PHOSPHORUS COMPOUNDS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-06-23 WO disclosed
US-20120269872-A1 NOVEL SALT 628 ASTRAZENECA AB (SE) 2012-10-25 US disclosed
US-8232296-B2 Salt 628 ASTRAZENECA AB (SE) 2012-07-31 US disclosed
EP-2398792-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD AstraZeneca AB (SE) 2011-12-28 EP disclosed
WO-2011110852-A1 POLYMORPHIC FORMS OF 6- [2- (4 -CYANOPHENYL) - 2H - PYRAZOL - 3 - YL] - 5 -METHYL - 3 - OXO - 4 - (TRIFLUOROMETHYL - PHENYL) 3,4-DIHYDROPYRAZINE-2-CARBOXYLIC ACID ETHYLAMIDE ASTRAZENECA AB (SE) 2011-09-15 WO disclosed
US-20110224229-A1 Novel Crystalline Form ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20100216843-A1 NOVEL SALT 628 ASTRAZENECA R&D 2010-08-26 US disclosed
WO-2010094964-A1 TOSYLATE SALT OF A 5-PYRAZOLYL-2-PYRIDONE DERIVATIVE, USEFUL IN THE TREATMENT OF COPD ASTRAZENECA AB (SE) 2010-08-26 WO disclosed
EP-1296992-B1 PHOSPHACYCLOHEXANES AND THE USE THEREOF IN THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2008-04-23 EP disclosed
EP-1296992-B1 PHOSPHACYCLOHEXANES AND THE USE THEREOF IN THE HYDROFORMYLATION OF OLEFINS BASF SE (DE) 2008-04-23 EP disclosed
US-7012162-B2 ccomplexes with transition metal; hydrogenation catalyst BASF AKTIENGESELLSCHAFT (DE) 2006-03-14 US disclosed
US-20040106512-A1 ccomplexes with transition metal; hydrogenation catalyst BASF AKTIENGESELLSCHAFT (DE) 2004-06-03 US disclosed
EP-0145650-B1 1H-POLYALKYL-PHOSPHORINANES CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed
US-4642382-A OIL ADDITIVES, POLYMER STABILIZERS CIBA-GEIGY CORPORATION (US) 1987-02-10 US disclosed
US-4539421-A HEAT, LIGHT AND OXIDATION STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1985-09-03 US disclosed
EP-0145650-A1 1H-polyalkyl-phosphorinanes CIBA-GEIGY AG (CH) 1985-06-19 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 (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-20110224229-A1 Novel Crystalline Form UACA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC1 NPC1 274/4885RAB9A 2617/4885ALDH1A1 2432/4885
US-20120269872-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 NPC1 1617/4885RAB9A 678/4885ALDH1A1 3387/4885
US-20100216843-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 NPC1 1603/4885RAB9A 653/4885ALDH1A1 3485/4885

“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.