SCHEMBL2267415

SCHEMBL2267415

OCC1CCC(CO)CC1.OCC1CCC(CO)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.46
ESR1 P03372 6/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
APLNR P35414 1/20 0.42
CYP2D6 P10635 1/20 0.39
EPHX2 P34913 1/20 0.33
BRD4 O60885 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
AGL P35573 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
SCHEMBL27912 1.00 ESR2 (0.46) ESR2ESR1CYP3A4CYP2C9APLNR
SCHEMBL297828 1.00 ESR2 (0.46) ESR2ESR1CYP3A4CYP2C9APLNR
SCHEMBL130642 1.00 ESR2 (0.46) ESR2ESR1CYP3A4CYP2C9APLNR
SCHEMBL4610 1.00
SCHEMBL1316560 1.00 ESR2 (0.46) ESR2ESR1CYP3A4CYP2C9APLNR
Phosphine SCHEMBL23581883 0.96 ESR1 (0.44) ESR2ESR1CYP3A4CYP2C9APLNR
SCHEMBL8744483 0.96 ESR1 (0.44) ESR2ESR1CYP3A4CYP2C9APLNR
Methane SCHEMBL11255677 0.96
Water SCHEMBL9548508 0.96 ESR1 (0.44) ESR2ESR1CYP3A4CYP2C9APLNR
Hydrochloric Acid SCHEMBL11684727 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113170586-A Insert molded electronic modules and molded interlocking features using thermally conductive polycarbonate 科思创有限公司 2021-07-23 CN disclosed
WO-2021132876-A1 METHOD FOR PRODUCING 1,4-CYCLOHEXANEDIMETHANOL 한화솔루션 주식회사 2021-07-01 WO disclosed
WO-2021133138-A1 METHOD FOR PREPARATION OF 1, 4-CYCLOHEXANEDIMETHANOL 한화솔루션 주식회사 2021-07-01 WO disclosed
US-20110245391-A1 DISPERSIONS COMPRISING FUNCTIONALIZED OXIDIC NANOPARTICLES BASF SE (DE) 2011-10-06 US disclosed
US-20110230343-A1 Method for the Manufacture of Microparticles Comprising an Effect Substance BASF SE (DE) 2011-09-22 US disclosed
US-20110173924-A1 Energy Absorptive/Moisture Resistive Underlayment Formed Using Recycled Materials and a Hard Flooring System Incorporating the Same L&P PROPERTY MANAGEMENT COMPANY (US) 2011-07-21 US disclosed
WO-2008144158-A1 POLYISOCYANURATE FOAM FOR ROOF STRUCTURES DOW GLOBAL TECHNOLOGIES INC. (US) 2008-11-27 WO disclosed
US-20060144012-A1 Recycled energy absorbing underlayment and moisture barrier for hard flooring system L&P PROPERTY MANAGEMENT COMPANY (A DELAWARE CORP.) 2006-07-06 US disclosed
EP-0935624-A1 RIGID POLYURETHANE FOAMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1999-08-18 EP disclosed
WO-1998020058-A1 RIGID POLYURETHANE FOAMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-05-14 WO disclosed
US-5064873-A Insulation, polyisocyanurate JIM WALTER RESEARCH CORP. (US) 1991-11-12 US disclosed
EP-0394736-A2 Polyisocyanurate foam Jim Walter Research Corp., (US) 1990-10-31 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 (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-20110230343-A1 Method for the Manufacture of Microparticles Comprising an Effect Substance APEH, SMPD4, SMPD1 ESR2 4254/4885ESR1 3956/4885CYP3A4 149/4885

“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.