SCHEMBL23901837

SCHEMBL23901837

CCCCC[C@H](C(C)C)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
CA1 P00915 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
DNM1 Q05193 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
MLYCD O95822 1/20 0.33
ACE2 Q9BYF1 1/20 0.32
FDPS P14324 1/20 0.32
FAAH O00519 1/20 0.32
TSHR P16473 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
SCHEMBL21431099 0.93 DNM1 (0.35) OPRM1CA1DNM1FDPSTSHR
SCHEMBL23901850 0.93 DNM1 (0.35) OPRM1CA1DNM1FDPSTSHR
SCHEMBL23901766 0.83 LMNA (0.42) LMNA
SCHEMBL23902053 0.83 LMNA (0.42) LMNA
SCHEMBL18124644 0.82 TSHR (0.32) TSHR
SCHEMBL18124670 0.82 TSHR (0.32) TSHR
SCHEMBL18124652 0.82 TSHR (0.32) TSHR
SCHEMBL23901838 0.78 LMNA (0.42) LMNA
SCHEMBL17974411 0.76 DNM1 (0.33) OPRM1DNM1
SCHEMBL23901851 0.76 ENPEP (0.32)

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 OPRM1 274/4885CA1 4769/4885SPHK1 1327/4885

“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.