SCHEMBL9967788

SCHEMBL9967788

CC(C)/C=C/c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.48
▸ LY96 Q9Y6Y9 1/20 0.45
▸ BCHE P06276 1/20 0.39
▸ DHODH Q02127 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ ATM Q13315 2/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL29566833 1.00 HSD11B1 (0.48) HSD11B1LY96BCHEDHODHKMT2A
SCHEMBL24309281 1.00 HSD11B1 (0.48) HSD11B1LY96BCHEDHODHKMT2A
SCHEMBL8900317 0.78 HSD11B1 (0.62) HSD11B1LY96BCHEKMT2AMEN1
SCHEMBL297691 0.78 HSD11B1 (0.62) HSD11B1LY96BCHEKMT2AMEN1
SCHEMBL1751871 0.78 HSD11B1 (0.62) HSD11B1LY96BCHEKMT2AMEN1
SCHEMBL31613215 0.78 HSD11B1 (0.62) HSD11B1LY96BCHEKMT2AMEN1
SCHEMBL18243722 0.77 HSD11B1 (0.42) HSD11B1LY96BCHEKMT2AMEN1
SCHEMBL6873626 0.76 DHODH (0.38) DHODHKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL18191762 0.76 ALDH1A1 (0.48) DHODHKMT2AMEN1ALDH1A1NPC1
SCHEMBL265503 0.75 HSD11B1 (0.54) HSD11B1LY96BCHEKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 — — US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 — — US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 — — US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 — — US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 — — US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 — — US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 — — US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 — — US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 — — 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 (4 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD HSD11B1 1157/4885LY96 4312/4885BCHE 4784/4885
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HSD11B1 3556/4885LY96 2135/4885BCHE 4366/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD HSD11B1 1157/4885LY96 4312/4885BCHE 4784/4885
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 HSD11B1 879/4885LY96 4099/4885BCHE 4692/4885

“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.

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