SCHEMBL21882660

SCHEMBL21882660

C=C/C(Cl)=C\C=C(/C)CCCC

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
CES1 P23141 2/20 0.31
TSHR P16473 3/20 0.31
HPGD P15428 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL23718834 0.94 TSHR (0.38) ALDH1A1TP53CES1TSHRCES2
SCHEMBL24092186 0.88 TSHR (0.32) TSHR
SCHEMBL27686509 0.80 CES1 (0.43) ALDH1A1TP53CES1TSHRCES2
SCHEMBL8583365 0.76
SCHEMBL184574 0.76
SCHEMBL184575 0.76
SCHEMBL20837673 0.76 CES1 (0.31) ALDH1A1CES1TSHRHPGDCES2
SCHEMBL20074370 0.76 PTPN1 (0.35) ALDH1A1TP53
SCHEMBL18998415 0.73 TSHR (0.35) ALDH1A1CES1TSHRCES2
SCHEMBL13359172 0.73 CES1 (0.42) ALDH1A1TP53CES1TSHRHPGD

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-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 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-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS ALDH1A1 840/4885TP53 4876/4885CES1 318/4885

“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.