SCHEMBL18573042

SCHEMBL18573042

CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)O)c4c3C2=O)NC(=O)/C(C)=C\C=C\C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)C(OC(C)=O)[C@@H]1C

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 5/20 0.84
TBXA2R P21731 3/20 0.84
CHRM1 P11229 3/20 0.84
PTGS1 P23219 3/20 0.84
SLCO2B1 O94956 2/20 0.84
ADRA1A P35348 2/20 0.84
SLCO1A2 P46721 2/20 0.84
SLCO1B3 Q9NPD5 2/20 0.84
SLCO1B1 Q9Y6L6 2/20 0.84
MAPT P10636 4/20 0.67
ABCC4 O15439 4/20 0.67
ABCC2 Q92887 4/20 0.67
GAA P10253 3/20 0.67
MAPK1 P28482 3/20 0.67
ABCC3 O15438 3/20 0.67
NR1I2 O75469 2/20 0.67
ADRB2 P07550 2/20 0.67
ADRB1 P08588 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
ADRA2B P18089 2/20 0.67

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
SCHEMBL437937 1.00 ABCB11 (0.84) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
SCHEMBL437936 1.00 ABCB11 (0.84) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
SCHEMBL22553370 1.00 ABCB11 (0.84) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
SCHEMBL16509411 1.00 ABCB11 (0.84) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
SCHEMBL30825668 1.00 ABCB11 (0.84) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
SCHEMBL31171049 1.00 ABCB11 (0.84) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
SCHEMBL16509382 0.94 ABCB11 (0.74) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
Rifamide SCHEMBL1650471 0.93 ABCB11 (0.80) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
Rifamide SCHEMBL49237 0.93 ABCB11 (0.80) ABCB11TBXA2RCHRM1PTGS1SLCO2B1
Rifamide SCHEMBL49236 0.93 ABCB11 (0.80) ABCB11TBXA2RCHRM1PTGS1SLCO2B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010619-B2 Bipartite inhibitors of bacterial RNA polymerase RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-07-03 US disclosed
US-20170056512-A1 BIPARTITE INHIBITORS OF BACTERIAL RNA POLYMERASE RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-02 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 (2 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-20170056512-A1 BIPARTITE INHIBITORS OF BACTERIAL RNA POLYMERASE POLR2H, POLR2E, POLM ABCB11 1097/4885TBXA2R 4110/4885CHRM1 4808/4885
US-10010619-B2 Bipartite inhibitors of bacterial RNA polymerase POLR2H, POLR2E, POLM ABCB11 1097/4885TBXA2R 4110/4885CHRM1 4808/4885

“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.