SCHEMBL21790405

SCHEMBL21790405

CCCCCCCC(C)(CCCC)NCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
THRB P10828 1/20 0.36
PPARA Q07869 2/20 0.34
GGPS1 O95749 1/20 0.34
FDPS P14324 2/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL18482260 0.98 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL28182999 0.98 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL20643823 0.98 EPHX1 (0.44) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL19352948 0.93 EPHX1 (0.39) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL19242564 0.93 TSHR (0.36) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL21790560 0.90 LMNA (0.48) EPHX1TSHRALDH1A1
SCHEMBL22851010 0.90 DNM1 (0.48) EPHX1TSHRALDH1A1FDPS
SCHEMBL23808925 0.89 EPHX1 (0.41) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL18525926 0.88 EPHX1 (0.39) EPHX1TSHRALDH1A1ADH1BADH1C
SCHEMBL24045162 0.88 EPHX1 (0.39) EPHX1TSHRALDH1A1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 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-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 EPHX1 421/4885TSHR 1413/4885ALDH1A1 1049/4885

“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.