SCHEMBL3896487

SCHEMBL3896487

CCC(CC)(C(=O)O)P(=O)(O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL98778 0.81 PPARD (0.38)
SCHEMBL1319863 0.79
SCHEMBL6437928 0.78
SCHEMBL28389789 0.78 PTPN1 (0.31)
SCHEMBL10930331 0.78 CYP4F2 (0.37) LMNA
SCHEMBL29690413 0.77 FDPS (0.31)
SCHEMBL282438 0.77 FDPS (0.37) GRM2GRM3LMNA
SCHEMBL4119345 0.75 LPAR3 (0.48)
Hydrochloric Acid SCHEMBL4158783 0.75 FDPS (0.36) GRM2GRM3LMNA
SCHEMBL2298232 0.75 FDPS (0.36) GRM2GRM3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554330-B1 PARTIALLY ESTER-EXCHANGED SIPM AND PROCESS THEREWITH INVISTA TECH SARL (CH) 2009-03-11 EP claimed
EP-1615934-B1 TITANIUM CHELATE DISPERSIONS DU PONT (US) 2007-06-27 EP claimed
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 CN disclosed
US-20190047939-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 17(20)-ENE B-SECO STEROIDS PATHEON AUSTRIA GMBH & CO KG (AU) 2019-02-14 US disclosed
EP-3423465-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 17(20)-ENE B-SECO STEROIDS Patheon Austria GmbH & Co KG (AT) 2019-01-09 EP disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
EP-2968336-A2 COMBINATION OF AN EGFR T790M INHIBITOR AND AN EGFR INHIBITOR FOR THE TREATMENT OF NON-SMALL CELL LUNG CANCER Pfizer Inc. (US) 2016-01-20 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
WO-2014140989-A2 COMBINATION OF AN EGFR T790M INHIBITOR AND AN EGFR INHIBITOR FOR THE TREATMENT OF NON-SMALL CELL LUNG CANCER PFIZER INC. (US) 2014-09-18 WO disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-2000008068-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 2000-02-17 WO disclosed
EP-0970529-A1 METHOD FOR PRODUCING SHAPED BODIES FOR LITHIUM ION BATTERIES BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
WO-1999057161-A1 COMPOSITIONS SUITABLE FOR ELECTROCHEMICAL CELLS BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
WO-1998044576-A1 METHOD FOR PRODUCING SHAPED BODIES FOR LITHIUM ION BATTERIES BASF AKTIENGESELLSCHAFT (DE) 1998-10-08 WO disclosed
US-5693841-A Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-12-02 US disclosed
EP-0765880-A1 Process for preparing sil acyclohexane-based liquid crystal compounds from silacyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-02 EP disclosed
EP-0687678-A1 Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-12-20 EP disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 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 (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-20190047939-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF 17(20)-ENE B-SECO STEROIDS CYP17A1, CYP46A1, HSD17B7 GRM2 2738/4885GRM3 1850/4885LMNA 1634/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS GRM2 3377/4885GRM3 2910/4885LMNA 3892/4885

“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.