SCHEMBL3780197

SCHEMBL3780197

C=C(C)COC(=O)C1CC=CCCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
MDM2 Q00987 1/20 0.32
MIF P14174 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
PAX8 Q06710 1/20 0.32
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3784261 0.91 MIF (0.39) SMN1; SMN2ALDH1A1TSHRMIFTDP1
SCHEMBL3788658 0.85 ALOX15 (0.33) SMN1; SMN2ALDH1A1TSHRHPGDALOX15
SCHEMBL3784406 0.85 ATM (0.33) SMN1; SMN2ATMALDH1A1TSHRMDM2
SCHEMBL3786401 0.85 ALDH1A1 (0.42) SMN1; SMN2ATMALDH1A1TSHRPOLB
SCHEMBL6351424 0.80 ALDH1A1 (0.44) SMN1; SMN2ATMCASP3SENP8SENP7
SCHEMBL6359904 0.79 ALDH1A1 (0.46) SMN1; SMN2CASP3SENP8SENP7SENP6
SCHEMBL3784429 0.77 TSHR (0.40) SMN1; SMN2ALDH1A1TSHRPOLBMIF
SCHEMBL16085912 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRPOLBTDP1
SCHEMBL16085913 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRPOLBTDP1
SCHEMBL10325880 0.76 MAPT (0.41) SMN1; SMN2ATMALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696366-B2 Production process of bifunctional epoxy monomer by selective oxidation of diolefin compound SHOWA DENKO K.K. (JP) 2010-04-13 US disclosed
EP-1891031-B1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO KK (JP) 2009-03-11 EP disclosed
US-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND SHOWA DENKO K.K. (JP) 2009-01-29 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 (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-20090030217-A1 PRODUCTION PROCESS OF BIFUNCTIONAL EPOXY MONOMER BY SELECTIVE OXIDATION OF DIOLEFIN COMPOUND DUOX2, DUOX1, DDT SMN1; SMN2 2870/4885ATM 3185/4885CASP3 3981/4885

“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.