SCHEMBL5523090

SCHEMBL5523090

CCCCCCCCCCCCCCCCOc1ccccc1C(=O)[O-].CCCCCCCCCCCCCCCCOc1ccccc1C(=O)[O-].[Ca+2]

nearest known ligand 0.75

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.75
CYP3A4 P08684 2/20 0.75
MAPT P10636 2/20 0.75
MEN1 O00255 1/20 0.75
NR1I2 O75469 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
OPRK1 P41145 1/20 0.75
HTR2B P41595 1/20 0.75
SLC6A3 Q01959 1/20 0.75
KMT2A Q03164 1/20 0.75
HDAC6 Q9UBN7 1/20 0.75
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.55
TSHR P16473 2/20 0.55
PTPN11 Q06124 1/20 0.54
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
PPARG P37231 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL10689625 1.00 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL8939573 1.00 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL8026168 1.00 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL9679215 1.00 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL10654017 0.97 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
Zinc Ion SCHEMBL8415901 0.97 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL9232384 0.97 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL8030294 0.97 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL9790328 0.97 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL13727535 0.97 LMNA (0.75) LMNACYP3A4MAPTMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59027994-A None JP disclosed
US-7238651-B2 Process for preparing an overbased detergent THE LUBRIZOL CORPORATION (US) 2007-07-03 US disclosed
EP-1694802-A1 PROCESS FOR PREPARING AN OVERBASED DETERGENT The Lubrizol Corporation (US) 2006-08-30 EP disclosed
US-20060178278-A1 Process for Preparing an Overbased Detergent THE LUBRIZOL CORPORATION (US) 2006-08-10 US disclosed
WO-2005042677-A1 PROCESS FOR PREPARING AN OVERBASED DETERGENT THE LUBRIZOL CORPORATION (US) 2005-05-12 WO disclosed
EP-0719851-B1 Lubricating oil composition ASAHI DENKA KOGYO KK (JP) 2000-02-23 EP disclosed
US-5627146-A A MOLYBDENUM DITHIOCARBAMATE, IMPROVED STABILITY AND SOLUBILITY ASAHI DENKA KOGYO K.K. (JP) 1997-05-06 US disclosed
EP-0719851-A2 Lubricating oil composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1996-07-03 EP disclosed
JP-S5927994-A LUBRICATING OIL COMPOSITION IDEMITSU KOSAN CO LTD 1984-02-14 JP disclosed
JP-S05927994-A 0001-01-01 JP 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 (1 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-20060178278-A1 Process for Preparing an Overbased Detergent DEGS1, ADH1C, CYP26B1 LMNA 3459/4885CYP3A4 256/4885MAPT 3554/4885

“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.