SCHEMBL506778

SCHEMBL506778

CCn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.46
LIPG Q9Y5X9 13/20 0.46
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
F11 P03951 2/20 0.38
FFAR1 O14842 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ESR2 Q92731 1/20 0.35

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
SCHEMBL16465393 0.88 LIPG (0.47) LPLLIPGCA1CA2CA9
SCHEMBL13860602 0.85 FFAR1 (0.42) LPLLIPGCA1CA2CA9
SCHEMBL22655326 0.84 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL506556 0.83 ESR2 (0.42) LPLLIPGCA1CA2CA9
SCHEMBL505948 0.83 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL506042 0.83 LIPG (0.40) LPLLIPGCA1CA2CA9
SCHEMBL22655354 0.83 CA1 (0.42) LPLLIPGCA1CA2CA9
SCHEMBL22655298 0.83 LPL (0.38) LPLLIPGCA1CA2CA9
SCHEMBL19521353 0.82 FFAR1 (0.43) LPLLIPGF11FFAR1F2
SCHEMBL22558742 0.82 LPL (0.43) LPLLIPGCA1CA2CA9

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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600717-B2 Tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2026-04-14 US disclosed
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-20250313567-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2025-10-09 US disclosed
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2025-02-27 US disclosed
US-20250034153-A1 TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS INCYTE CORPORATION 2025-01-30 US disclosed
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2024-12-19 US disclosed
CN-118894816-A 3, 3-Difluoroallylamine or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2024-11-05 CN disclosed
EP-4444420-A2 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Prothena Biosciences Limited (IE) 2024-10-16 EP disclosed
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2024-10-08 US disclosed
US-12053473-B2 Benzylamino substituted quinazolines and derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-06 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2751093-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2014-07-09 EP disclosed
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2014-04-10 US disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 EP disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO 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 (10 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-12600717-B2 Tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS LPL 4192/4885LIPG 4098/4885CA1 2745/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 LPL 1930/4885LIPG 1091/4885CA1 2993/4885
US-12110279-B2 Triazolones, tetrazolones, and imidazolones, or their salts, and pharmaceutical compositions comprising the same VAPB, VAPA, FABP1 LPL 439/4885LIPG 762/4885CA1 4801/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 LPL 4640/4885LIPG 3962/4885CA1 4196/4885
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 LPL 1930/4885LIPG 1091/4885CA1 2993/4885
US-20240417392-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 LPL 361/4885LIPG 1014/4885CA1 4788/4885
US-20250066349-A1 CYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS DYRK2, DYRK1A, PYGB LPL 4583/4885LIPG 3800/4885CA1 1467/4885
US-20250034153-A1 TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 LPL 3435/4885LIPG 2499/4885CA1 3781/4885
US-20250313567-A1 IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES AS A2A / A2B INHIBITORS ADORA2A, ADORA2B, ADORA1 LPL 4054/4885LIPG 3519/4885CA1 3900/4885
US-12053473-B2 Benzylamino substituted quinazolines and derivatives as SOS1 inhibitors SOS1, SOS2, SOST LPL 4877/4885LIPG 4795/4885CA1 4477/4885

“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.