SCHEMBL6683507

SCHEMBL6683507

CCOC(=O)CC(OCC)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 6/20 0.38
TRPA1 O75762 1/20 0.38
UGT2B7 P16662 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL25249782 0.93 CYP2D6 (0.46) CYP2D6MGAMGAASIMGAM2
SCHEMBL25251873 0.91 CYP2D6 (0.44) CYP2D6MGAMGAASIMGAM2
SCHEMBL8466172 0.85 CYP2D6 (0.33) CYP2D6MGAMGAASIMGAM2
SCHEMBL7623877 0.85 TSHR (0.38) MGAMGAASIMGAM2L3MBTL1
SCHEMBL7623909 0.85 CYP2D6 (0.41) CYP2D6MGAMGAASIMGAM2
SCHEMBL8466174 0.84 HCAR2 (0.35) CYP2D6UGT2B7L3MBTL1TDP1KDM4E
SCHEMBL6682036 0.79 PPM1B (0.37) CYP2D6ALDH1A1L3MBTL1
SCHEMBL15534191 0.79 MGAM (0.44) CYP2D6MGAMGAASIMGAM2
SCHEMBL21821549 0.77 MGAM (0.43) CYP2D6MGAMGAASIMGAM2
SCHEMBL10990788 0.77 UGT2B7 (0.45) CYP2D6MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212294-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2003-11-13 US claimed
US-20030208092-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2003-11-06 US claimed
JP-2003518519-A 2003-06-10 JP claimed
EP-1261657-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2002-12-04 EP claimed
WO-2000068290-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2000-11-16 WO claimed
CN-1200917-C Process for preparation of cyclopropyl acethlene derivative KURARAY CO (JP) 2005-05-11 CN disclosed
CN-1183090-C Method for preparation of cyclopropyl acrylic derivative �����ɷ� 2005-01-05 CN disclosed
EP-1261657-B1 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEM CO (US) 2004-11-10 EP disclosed
US-20040210030-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2004-10-21 US disclosed
US-6710206-B2 HEATING TO DEHYDROGENATE AND FORM 3-CYCLOPROPYLACRYLIC ACID; VINYLCYCLOPROPANE AND CYCLOPROPYLACETYLENE PREPARATION EASTMAN CHEMICAL COMPANY 2004-03-23 US disclosed
US-20030212294-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2003-11-13 US disclosed
US-20030208092-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HUBBS JOHN CLARK (US) 2003-11-06 US disclosed
EP-0847974-B1 Process for the preparation of cyclopropylacetylene and its derivatives KURARAY CO (JP) 2002-06-05 EP disclosed
CN-1070833-C Process for preparing cyclopropyl acetylene derivatives KURARAY CO (JP) 2001-09-12 CN disclosed
CN-1281840-A Process for preparation of cyclopropyl acethlene derivative KURARAY CO (JP) 2001-01-31 CN disclosed
CN-1281846-A Method for preparation of cyclopropyl acrylic derivative KURARAY CO (JP) 2001-01-31 CN disclosed
WO-2000068290-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2000-11-16 WO disclosed
US-5955627-A Process for the preparation of cyclopropylacetylene derivatives KURARAY CO., LTD. (JP) 1999-09-21 US disclosed
CN-1191856-A Process for preparing cyclopropyl acetylene derivatives KURARAY CO (JP) 1998-09-02 CN disclosed
EP-0847974-A1 Process for the preparation of cyclopropylacetylene and its derivatives KURARAY CO., LTD. (JP) 1998-06-17 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-20030212294-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HACL2, HPD, GRHPR CYP2D6 1431/4885MGAM 592/4885GAA 1126/4885
US-20030208092-A1 Poly(3-cyclopropyl-3-hydroxypropionate) and processes for its preparation and derivatives thereof HPD, HACL2, GRHPR CYP2D6 1418/4885MGAM 625/4885GAA 1073/4885

“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.