SCHEMBL3848086

SCHEMBL3848086

C(OCC1CO1)C1CO1.CC(C)Cc1cc(O)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
TYR P14679 3/20 0.37
EGFR P00533 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
CYP3A4 P08684 2/20 0.33
HIF1A Q16665 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL6903461 0.81 ALDH1A1 (0.50) GABRA1GABRB2TSHRALDH1A1TP53
SCHEMBL3848087 0.81 ALDH1A1 (0.44) GABRA1GABRB2TYRTSHRALDH1A1
SCHEMBL5877825 0.80 GABRA1 (0.68) GABRA1GABRB2TYREGFRHSP90AA1
SCHEMBL27500220 0.80 TYR (0.49) TYREGFRTSHRALDH1A1TP53
Methylhydroquinone SCHEMBL1357054 0.79 ESR1 (0.40) TSHRALDH1A1TP53CYP3A4HIF1A
SCHEMBL5877556 0.78 GABRA1 (0.51) GABRA1GABRB2TSHRALDH1A1TP53
SCHEMBL5877663 0.77 TSHR (0.36) GABRA1GABRB2TSHRALDH1A1TP53
SCHEMBL20530996 0.75 MAOB (0.61) CYP3A4
SCHEMBL16828361 0.75 TYR (0.42) TYRTSHRTP53CYP3A4SMN1; SMN2
SCHEMBL27460405 0.75 ALDH1A1 (0.39) GABRA1GABRB2TSHRALDH1A1TP53

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
US-20160096964-A1 FLAKY GRAPHITE CONTAINING BORON AND PRODUCTION METHOD THEREFOR SHOWA DENKO K.K. (JP) 2016-04-07 US disclosed
EP-2998271-A1 FLAKY GRAPHITE CONTAINING BORON AND PRODUCTION METHOD THEREFOR Showa Denko K.K. (JP) 2016-03-23 EP disclosed
US-20090280331-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-11-12 US disclosed
US-20090274916-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD (JP) 2009-11-05 US disclosed
EP-2050756-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-04-22 EP disclosed
EP-2048147-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE SHOWA HIGHPOLYMER CO., LTD. (JP) 2009-04-15 EP disclosed
US-7084194-B2 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2006-08-01 US disclosed
US-6900269-B2 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2005-05-31 US disclosed
US-20040254305-A1 Epoxy resin composition for photosemiconductor package CHANG CHUN PLASTIC CO., LTD. (TW) 2004-12-16 US disclosed
US-20040158023-A1 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-08-12 US disclosed
US-20040147640-A1 Halogen-free resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-07-29 US disclosed
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 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 (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-20090274916-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE P2RX5, P2RX4, KDM5A GABRA1 433/4885GABRB2 940/4885TYR 2580/4885
US-20090280331-A1 PHOSPHORUS-CONTAINING BENZOXAZINE COMPOUND, PROCESS FOR PRODUCTION THEREOF, CURABLE RESIN COMPOSITION, CURED ARTICLE, AND LAMINATE PLATE P2RX5, KDM5A, P2RX4 GABRA1 357/4885GABRB2 774/4885TYR 2704/4885

“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.