SCHEMBL23027981

SCHEMBL23027981

C=CCc1cc(CO)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
GABRA1 P14867 7/20 0.39
GABRB2 P47870 7/20 0.39
MAPT P10636 4/20 0.39
CNR2 P34972 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
CNR1 P21554 2/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH2 P05091 1/20 0.39
AKR1B1 P15121 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 4/20 0.38
POLB P06746 2/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL5936407 0.80 EGFR (0.39) MAPTKDM4EEGFR
SCHEMBL29586802 0.80 EGFR (0.39) MAPTKDM4EEGFR
SCHEMBL7412533 0.79 GABRA1 (0.63) XDHGABRA1GABRB2MAPTCNR2
SCHEMBL4873148 0.78 XDH (0.40) XDHGABRA1GABRB2MAPTCNR2
SCHEMBL3255732 0.77 GABRA1 (0.46) XDHGABRA1GABRB2MAPTCNR2
SCHEMBL7131922 0.76 KMT2A (0.40) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL29790996 0.76 CA2 (0.33) GABRA1GABRB2KDM4ENPSR1CYP1A2
SCHEMBL23647876 0.76 CA2 (0.33) GABRA1GABRB2KDM4ENPSR1CYP1A2
SCHEMBL3956279 0.76 XDH (0.55) XDHGABRA1GABRB2MAPTCNR2
SCHEMBL6283834 0.75 CA12 (0.42) XDHGABRA1GABRB2MAPTCNR2

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-20210053979-A1 MACROCYCLIC TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-02-25 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-20210053979-A1 MACROCYCLIC TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 XDH 1929/4885GABRA1 1387/4885GABRB2 1379/4885

“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.