SCHEMBL5018926

SCHEMBL5018926

CC(C)Cc1ccc2c(c1)CCCO2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 5/20 0.43
WNT3A P56704 5/20 0.43
ACACB O00763 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP2D6 P10635 1/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
NOTUM Q6P988 1/20 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
SCHEMBL4966560 0.97 ACACB (0.41) CTNNB1WNT3AACACBTAAR1SLC6A2
SCHEMBL5018746 0.90 ACACB (0.48) ACACBTAAR1CYP2D6NPC1POLB
SCHEMBL19465751 0.87 KCNH2 (0.46) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL5023473 0.81 CTNNB1 (0.46) CTNNB1WNT3ACLK1DYRK1ADYRK1B
SCHEMBL12775573 0.81 TAAR1 (0.56) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13146611 0.81 RAB9A (0.44) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL3518645 0.81 KDM4E (0.46) CTNNB1WNT3AACACBCLK1DYRK1A
Hydrochloric Acid SCHEMBL27569568 0.81 CTNNB1 (0.41) CTNNB1WNT3AACACBCLK1DYRK1A
SCHEMBL20397605 0.79 SLC6A4 (0.45) CTNNB1WNT3AACACBTAAR1SLC6A2
SCHEMBL16416836 0.79 CTNNB1 (0.43) CTNNB1WNT3ASLC6A4CLK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-9738655-B2 Tetrahydroisoquinolines containing substituted azoles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 US disclosed
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 US disclosed
US-20120196813-A1 GLYCOSIDE DERIVATIVE AND USES THEREOF NOVARTIS AG (CH) 2012-08-02 US disclosed
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2012-07-12 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 US disclosed
WO-2008141010-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (11 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 CTNNB1 2680/4885WNT3A 2523/4885ACACB 847/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 CTNNB1 2680/4885WNT3A 2523/4885ACACB 847/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB CTNNB1 3043/4885WNT3A 4131/4885ACACB 433/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 CTNNB1 4569/4885WNT3A 4427/4885ACACB 331/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 CTNNB1 2680/4885WNT3A 2523/4885ACACB 847/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CTNNB1 4592/4885WNT3A 4794/4885ACACB 470/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CTNNB1 4592/4885WNT3A 4794/4885ACACB 470/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 CTNNB1 2680/4885WNT3A 2523/4885ACACB 847/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 CTNNB1 2680/4885WNT3A 2523/4885ACACB 847/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 CTNNB1 954/4885WNT3A 259/4885ACACB 2825/4885
US-20120196813-A1 GLYCOSIDE DERIVATIVE AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 CTNNB1 2870/4885WNT3A 2581/4885ACACB 881/4885

“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.