SCHEMBL19730185

SCHEMBL19730185

O=C(O)C1C[C@@H](Br)C[C@@H]1COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.49
AGTR2 P50052 4/20 0.45
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 2/20 0.37

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
SCHEMBL19714863 1.00 FFAR4 (0.49) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL17391191 0.89 FFAR4 (0.57) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL29188003 0.89 FFAR4 (0.57) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL29018749 0.89 FFAR4 (0.57) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL5447182 0.89 FFAR4 (0.57) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL5924916 0.89 FFAR4 (0.57) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL19714832 0.86 CPB1 (0.46) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL19730184 0.86 CPB1 (0.46) FFAR4AGTR2ALDH1A1CYP1A2TSHR
SCHEMBL19730186 0.82 TSHR (0.42) FFAR4AGTR2TSHRLMNAACHE
SCHEMBL6409645 0.81 FFAR4 (0.62) FFAR4AGTR2

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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF VASADE BIOSCIENCES, INC. 2017-12-21 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-20170362235-A1 ADENYLYL CYCLASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHOD OF USE THEREOF ADCY1, ADCY2, ADCY5 FFAR4 1608/4885AGTR2 180/4885ALDH1A1 531/4885

“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.