SCHEMBL19730184

SCHEMBL19730184

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.42
ACHE P22303 2/20 0.42
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
AGTR2 P50052 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39

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
SCHEMBL19714832 1.00 CPB1 (0.46) CPB1CYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL6407549 0.90 CPB1 (0.51) CPB1CYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL17407791 0.90 CPB1 (0.51) CPB1CYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL19714863 0.86 FFAR4 (0.49) CYP1A2TSHRALDH1A1LMNAACHE
SCHEMBL19730185 0.86 FFAR4 (0.49) CYP1A2TSHRALDH1A1LMNAACHE
SCHEMBL6406962 0.83 FFAR4 (0.49) CPB1CYP2C19CYP1A2CYP2C9CYP3A4
SCHEMBL6406569 0.78 HTT (0.49) CPB1CYP3A4ALDH1A1POLBFFAR4
SCHEMBL19730186 0.77 TSHR (0.42) TSHRPOLBLMNAACHEAGTR2
SCHEMBL23970542 0.77 CA1 (0.49) TSHRALDH1A1AGTR2FFAR4
SCHEMBL15927893 0.77 CA1 (0.49) TSHRALDH1A1AGTR2FFAR4

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 CPB1 1775/4885CYP2C19 2308/4885CYP1A2 2317/4885

“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.