SCHEMBL19700565

SCHEMBL19700565

CC(C)(C)OCCCC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SIGMAR1 Q99720 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FKBP1A P62942 5/20 0.37
EPHX1 P07099 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13963779 0.95 CYP1A2 (0.43) CYP1A2SIGMAR1SMN1; SMN2FKBP1AEPHX1
SCHEMBL21152372 0.93 CYP1A2 (0.46) CYP1A2SIGMAR1SMN1; SMN2FKBP1AEPHX1
SCHEMBL19852059 0.91 SIGMAR1 (0.47) CYP1A2SIGMAR1FKBP1AEPHX1NAAA
SCHEMBL21104963 0.91 SIGMAR1 (0.47) CYP1A2SIGMAR1FKBP1AEPHX1NAAA
SCHEMBL13963782 0.91 CYP1A2 (0.36) CYP1A2SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL13963780 0.86 CYP1A2 (0.41) CYP1A2SIGMAR1SMN1; SMN2EPHX1ALDH1A1
SCHEMBL11993528 0.84 CYP1A2 (0.44) CYP1A2SIGMAR1SMN1; SMN2FKBP1AEPHX1
SCHEMBL7426671 0.82 HRH3 (0.41) CYP1A2HRH3NAAA
SCHEMBL13963781 0.81 CYP1A2 (0.36) CYP1A2SIGMAR1ALDH1A1
SCHEMBL7418924 0.81 GNAO1 (0.37) HRH3

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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS Epizyme, Inc. 2017-12-14 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 (3 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-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 CYP1A2 2958/4885SIGMAR1 3983/4885SMN1; SMN2 2231/4885
US-20170355712-A1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS SHMT1, BHMT, BHMT2 CYP1A2 615/4885SIGMAR1 786/4885SMN1; SMN2 504/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 CYP1A2 2958/4885SIGMAR1 3983/4885SMN1; SMN2 2231/4885

“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.