SCHEMBL21743264

SCHEMBL21743264

CC(C)CCNCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SAT1 P21673 1/20 0.41
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39
HTT P42858 1/20 0.36
EPHX1 P07099 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL19728163 0.98 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4670470 0.91 SAT1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23059867 0.86 SAT1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19728164 0.86 SAT1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19734413 0.83 SAT1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13766693 0.82 GNAI3 (0.54) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11368916 0.81 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26741061 0.79 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19728162 0.78 SAT1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12156661 0.77 KMT2A (0.45) ALDH1A1CYP3A4CYP2C9CYP2C19GAA

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-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 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-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 ALDH1A1 430/4885CYP1A2 2958/4885CYP3A4 3994/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 ALDH1A1 430/4885CYP1A2 2958/4885CYP3A4 3994/4885

“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.