SCHEMBL2670001

SCHEMBL2670001

COc1ccc(C(C)C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
ALDH1A1 P00352 7/20 0.45
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.42
PDE5A O76074 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.41
ERN1 O75460 2/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL4677974 0.84 ADRB2 (0.47) TAS1R3TAS1R1ALDH1A1LMNAPDE5A
SCHEMBL16953970 0.84 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1LMNAPDE5A
SCHEMBL29809537 0.84 ADRB2 (0.47) TAS1R3TAS1R1ALDH1A1LMNAPDE5A
SCHEMBL15943184 0.84 TAS1R3 (0.48) TAS1R3TAS1R1ALDH1A1LMNASMN1; SMN2
SCHEMBL14239938 0.84 ADRB2 (0.47) TAS1R3TAS1R1ALDH1A1LMNAPDE5A
SCHEMBL1104690 0.83 ALDH1A1 (0.47) HDAC4HDAC8ALDH1A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL6427781 0.82 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL14121526 0.82 ADRB2 (0.45) TAS1R3TAS1R1ALDH1A1LMNAPDE5A
SCHEMBL14211318 0.82 TAS1R3 (0.50) HDAC8TAS1R3TAS1R1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL14157334 0.82 ADRB2 (0.45) TAS1R3TAS1R1ALDH1A1LMNAPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230134932-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-04 US disclosed
EP-3458066-B1 FUSED PYRAZINE DERIVATIVES USEFUL AS SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC (US) 2023-05-03 EP disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
WO-2022084741-A1 CFTR MODULATOR COMPOUNDS, COMPOSITIONS, AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-28 WO disclosed
WO-2021043322-A1 AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF 正大天晴药业集团南京顺欣制药有限公司 2021-03-11 WO disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007064797-A2 INHIBITORS OF C-MET AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-06-07 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-20070043051-A1 Methods and compositions of novel triazine compounds TIMMER RICHARD T 2007-02-22 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (9 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A HDAC4 957/4885HDAC8 2624/4885TAS1R3 724/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HDAC4 968/4885HDAC8 1141/4885TAS1R3 2035/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF HDAC4 2497/4885HDAC8 2125/4885TAS1R3 3887/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HDAC4 163/4885HDAC8 128/4885TAS1R3 2088/4885
US-20070043051-A1 Methods and compositions of novel triazine compounds AREG, TGFB1, PTGIS HDAC4 1922/4885HDAC8 1990/4885TAS1R3 2915/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 HDAC4 163/4885HDAC8 128/4885TAS1R3 2088/4885
US-20230134932-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 HDAC4 1569/4885HDAC8 1494/4885TAS1R3 4648/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA HDAC4 242/4885HDAC8 191/4885TAS1R3 1820/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 HDAC4 1988/4885HDAC8 1794/4885TAS1R3 2845/4885

“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.