SCHEMBL2718913

SCHEMBL2718913

CC(OCC1CO1)Oc1ccc(C2CCC(c3ccc(OC(C)OCC4CO4)cc3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL2717619 0.89 ALDH1A1 (0.33) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2829820 0.84 ALDH1A1 (0.41) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2719930 0.84 ALDH1A1 (0.41) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2720088 0.83 TP53 (0.31) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2719078 0.81 TSHR (0.34) TSHRMEN1KMT2ADRD2IDO1
SCHEMBL20590551 0.79 ALDH1A1 (0.38) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2717675 0.76 TDP1 (0.61) TSHRALDH1A1TP53MAPTHPGD
SCHEMBL2720559 0.75 — —
SCHEMBL2719429 0.74 SMN1; SMN2 (0.34) TSHRMEN1KMT2ADRD2SMN1; SMN2
SCHEMBL2720930 0.74 PPARG (0.36) TSHRALDH1A1TP53MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1995245-B1 METHOD FOR PRODUCING EPOXY COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-05-02 — — EP disclosed
US-20100160555-A1 RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 — — US disclosed
EP-2133380-A1 RESIN COMPOSITION Sumitomo Chemical Company, Limited (JP) 2009-12-16 — — EP disclosed
US-20090054669-A1 Process For Producing Epoxy Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-26 — — US disclosed
US-20090018355-A1 Process for Crystallizing an Epoxy Compound SUMITOMO CHEMICAL COMPANY, LTD. 2009-01-15 — — US disclosed
EP-1995245-A1 METHOD FOR PRODUCING EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 — — EP disclosed
EP-1995244-A1 METHOD FOR CRYSTALLIZATION OF EPOXY COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-11-26 — — 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-20090018355-A1 Process for Crystallizing an Epoxy Compound PTGER1, NR5A1, TCP1 TSHR 1136/4885ALDH1A1 938/4885TP53 3527/4885
US-20090054669-A1 Process For Producing Epoxy Compound RER1, AR, CYP1A1 TSHR 2772/4885ALDH1A1 464/4885TP53 4049/4885

“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.

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