SCHEMBL3004341

SCHEMBL3004341

OCCCOc1ccc(C(c2ccc(OCCCO)cc2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDK2 Q15119 4/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
ESRRG P62508 1/20 0.39
NOS1 P29475 2/20 0.38
PPARA Q07869 1/20 0.38
NR1I2 O75469 1/20 0.37

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
SCHEMBL4943546 0.91 CYP3A4 (0.54) ESR1ESR2CYP3A4SMN1; SMN2PDK2
SCHEMBL17787262 0.86 CYP3A4 (0.50) ESR1ESR2CYP3A4SMN1; SMN2PDK2
SCHEMBL225915 0.85 NOS1 (0.50) CYP3A4SMN1; SMN2ALDH1A1ESRRGNOS1
SCHEMBL14397685 0.84 ALDH1A1 (0.54) ESR1ESR2CYP3A4SMN1; SMN2PDK2
SCHEMBL14397500 0.84 ALDH1A1 (0.54) ESR1ESR2CYP3A4SMN1; SMN2PDK2
SCHEMBL17787403 0.83 CYP3A4 (0.51) ESR1ESR2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL26290184 0.82 ESR1 (0.50) ESR1ESR2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL12214816 0.80 CYP3A4 (0.45) ESR1ESR2CYP3A4SMN1; SMN2PDK2
SCHEMBL555384 0.79 ALDH1A1 (0.56) ALDH1A1RECQLNR1I2
SCHEMBL6333569 0.79 LTA4H (0.47) ESR1ESR2SMN1; SMN2PDK2MEN1

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
JP-4055429-A None JP disclosed
JP-4139213-A None JP disclosed
US-20230296984-A1 EUV RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-09-21 US disclosed
US-20230296984-A1 EUV RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-09-21 US disclosed
EP-2190812-B1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2015-12-02 EP disclosed
US-8426490-B2 Methacrylate based monomers containing a urethane linkage, process for production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-23 US disclosed
US-20100197824-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2010-08-05 US disclosed
EP-2190812-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF 3M Innovative Properties Company (US) 2010-06-02 EP disclosed
WO-2009042574-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-04-02 WO disclosed
EP-2042486-A1 Methacrylate Based Monomers containing a Urethane Linkage, Process for Production and Use thereof 3M Innovative Properties Company (US) 2009-04-01 EP disclosed
JP-H04139213-A FLUORINE-CONTAINING PROPOXYCYCLOHEXYLENE POLYCARBONATE RESIN CHISSO CORP 1992-05-13 JP disclosed
JP-H0455429-A PROPYLENEOXYFLUORINE-CONTAINING POLYCARBONATE RESIN CHISSO CORP 1992-02-24 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-20100197824-A1 METHACRYLATE BASED MONOMERS CONTAINING A URETHANE LINKAGE, PROCESS FOR PRODUCTION AND USE THEREOF PYM1, B2M, MACF1 ESR1 328/4885ESR2 475/4885CYP3A4 808/4885

“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.