SCHEMBL2442995

SCHEMBL2442995

COC(=O)c1ccccc1OC(=O)c1ccccc1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.76
TSHR P16473 1/20 0.76
HSD17B10 Q99714 6/20 0.70
HPGD P15428 4/20 0.70
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
SLC6A3 Q01959 2/20 0.68
KMT2A Q03164 6/20 0.59
HTT P42858 2/20 0.59
ESR1 P03372 2/20 0.59
ESR2 Q92731 2/20 0.59
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.56
ATM Q13315 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
POLB P06746 1/20 0.51
GAA P10253 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
Methyl Salicylate SCHEMBL26622127 0.92 LMNA (0.73) LMNATSHRHSD17B10HPGDKDM4E
SCHEMBL5565286 0.90 LMNA (0.61) LMNATSHRHSD17B10HPGDKDM4E
SCHEMBL5706028 0.89 SLC6A3 (0.77) LMNATSHRHSD17B10HPGDKDM4E
Methyl Salicylate SCHEMBL29370254 0.87 LMNA (1.00) LMNATSHRHSD17B10HPGDKDM4E
Methyl Salicylate SCHEMBL1872042 0.87 LMNA (1.00) LMNATSHRHSD17B10HPGDKDM4E
Methyl Salicylate SCHEMBL5312 0.87 LMNA (1.00) LMNATSHRHSD17B10HPGDKDM4E
SCHEMBL13829204 0.86 HSD17B10 (0.70) LMNATSHRHSD17B10HPGDKDM4E
SCHEMBL5706157 0.86 SLC6A3 (0.72) LMNATSHRHSD17B10HPGDKDM4E
SCHEMBL13243352 0.86 SLC6A3 (0.72) LMNATSHRHSD17B10HPGDKDM4E
SCHEMBL13813927 0.86 SLC6A3 (0.72) LMNATSHRHSD17B10HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10004753-B2 Methods for treating tauopathy THE J. DAVID GLADSTONE INSTITUTES (US) 2018-06-26 US disclosed
US-9309233-B2 Compositions and methods for the treatment of blood clotting disorders CELLIX BIO PRIVATE LIMITED (IN) 2016-04-12 US disclosed
US-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 US disclosed
US-20150087697-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE PAIN KANDULA MAHESH (IN) 2015-03-26 US disclosed
US-8440723-B2 Metformin salts of salicylic acid and its congeners MYLARI BANAVARA L (US) 2013-05-14 US disclosed
US-20110217243-A1 PHARMACEUTICAL IDENTIFICATION PURDUE PHARMA L.P. (US) 2011-09-08 US disclosed
US-7875215-B2 A singlet oxygen scavenger, a radical trapping agent and an antioxidant; quaternary or amine salt derivatives of 4-hydroxy-3-cyclopenten-1,-2-dione; discoloration inhibition, light resistance; electrooptics, liquid crystal display, optical cards, optical recording media, and protective goggles FUJIFILM CORPORATION (JP) 2011-01-25 US disclosed
WO-2009155592-A1 METHOD FOR PRODUCING PHENOLIC COMPOUND SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-12-23 WO disclosed
US-20090117266-A1 NEAR-INFRARED-ABSORBING MATERIAL FUJIFILM CORPORATION (JP) 2009-05-07 US disclosed
US-20080169453-A1 Near infrared ray absorbing material and near infrared ray absorbing filter FUJIFILM CORPORATION (JP) 2008-07-17 US disclosed
US-20080073626-A1 A singlet oxygen scavenger, a radical trapping agent and an antioxidant; quaternary or amine salt derivatives of 4-hydroxy-3-cyclopenten-1,-2-dione; discoloration inhibition, light resistance; electrooptics, liquid crystal display, optical cards, optical recording media, and protective goggles FUJIFILM CORPORATION (JP) 2008-03-27 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 (4 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-20150119436-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BLOOD CLOTTING DISORDERS F2, F12, F5 LMNA 2652/4885TSHR 1650/4885HSD17B10 524/4885
US-10004753-B2 Methods for treating tauopathy MAPT, PYGB, CHAT LMNA 958/4885TSHR 4730/4885HSD17B10 1173/4885
US-20080169453-A1 Near infrared ray absorbing material and near infrared ray absorbing filter RRP12, MRPS22, H1-10 LMNA 1943/4885TSHR 765/4885HSD17B10 3065/4885
US-20150087697-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUSCLE PAIN TNNC1, MUSK, OPRK1 LMNA 3792/4885TSHR 3401/4885HSD17B10 3042/4885

“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.