SCHEMBL14397102

SCHEMBL14397102

CC(C)N(C)C1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.48
ADH1C P00326 3/20 0.48
ADH1B P00325 1/20 0.48
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FDPS P14324 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL13503180 1.00 ADH1A (0.48) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL105488 1.00 ADH1A (0.48) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL104779 0.97 ADH1A (0.44) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL10093885 0.94
SCHEMBL18458215 0.85 ADH1B (0.32) ADH1AADH1CADH1B
SCHEMBL13397343 0.85
SCHEMBL23178016 0.84 ADH1C (0.35) ADH1AADH1CADH1B
SCHEMBL29346796 0.82 ADH1C (0.35) ADH1AADH1CADH1B
SCHEMBL27089783 0.80 ADH1B (0.33) ADH1AADH1CADH1B
Methyl Alcohol SCHEMBL28023379 0.80 CCR2 (0.31) ADH1AADH1CADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 US disclosed
WO-2007115231-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 WO 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-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 ADH1A 4518/4885ADH1C 4387/4885ADH1B 3626/4885

“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.