SCHEMBL1093485

SCHEMBL1093485

c1ccc(C2CC2)c(Sc2ccccc2C2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.38
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
IDO1 P14902 3/20 0.33
PDPK1 O15530 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 1/20 0.32
RECQL P46063 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL5887367 0.89 PTGDR2 (0.41) HTR2C
SCHEMBL944179 0.85 APOBEC3G (0.39) HTR2CCHRNB4CHRNA3IDO1PDPK1
SCHEMBL105441 0.79 HTR2C (0.35) HTR2CCHRNB4CHRNA3IDO1PDPK1
SCHEMBL3425103 0.78 CHRNB4 (0.50) HTR2CCHRNB4CHRNA3IDO1PDPK1
SCHEMBL6940509 0.78 CHRNB4 (0.50) HTR2CCHRNB4CHRNA3IDO1PDPK1
SCHEMBL2469257 0.76 HTR2C (0.67) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL944717 0.76 CETP (0.41) HTR2CHTR1A
SCHEMBL9883179 0.76 HTR2C (0.41) HTR2CSLC6A2
SCHEMBL3539172 0.75 HTR2C (0.51) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL944629 0.75 CETP (0.43) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119615135-A Electroless copper plating additive, electroless copper plating solution and electroless copper plating method for IC carrier plate 深圳市板明科技股份有限公司 2025-03-14 CN claimed
CN-118970164-A Three-dimensional crosslinked gel polymer electrolyte and preparation method and application thereof 郑州比克电子有限责任公司 2024-11-15 CN claimed
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
US-3968132-A (17R)-Spiro-[androstane-17,1'-cyclobutan]-2'-ones, methods for their manufacture and intermediates useful therein SCHERING CORPORATION (US) 1976-07-06 US claimed
CN-120058570-A Application of metal ion doped graphene oxide film catalytic material in catalyzing thioether oxidation reaction to synthesize sulfone 中国科学院理化技术研究所 2025-05-30 CN disclosed
CN-118970164-A Three-dimensional crosslinked gel polymer electrolyte and preparation method and application thereof 郑州比克电子有限责任公司 2024-11-15 CN disclosed
CN-112533934-B Polyoxometallate compounds exhibiting bright emissions and methods of making same 纳米2D材料有限公司 2024-07-19 CN disclosed
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
CN-112640182-A Nonaqueous electrolyte solution and nonaqueous secondary battery 旭化成株式会社 2021-04-09 CN disclosed
CN-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 CN disclosed
CN-110256307-B Method for synthesizing sulfoxide compound 南京雷正医药科技有限公司 2021-01-29 CN disclosed
CN-103736238-B Fire extinguishing composition containing sulfur-containing organic compound 湖北及安盾消防科技有限公司 2020-10-13 CN disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002053522-A2 NOVEL ESTROGEN RECEPTOR LIGANDS AND METHODS I KARO BIO AB (SE) 2002-07-11 WO disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed
EP-0499327-B1 Steroid compounds active on the cardiovascular system ZAMBON SPA (IT) 1996-11-13 EP disclosed
US-5426179-A Substituted androstanes ZAMBON GROUP S.P.A. (IT) 1995-06-20 US disclosed
EP-0499327-A1 Steroid compounds active on the cardiovascular system ZAMBON GROUP S.p.A. (IT) 1992-08-19 EP disclosed
US-3968132-A (17R)-Spiro-[androstane-17,1'-cyclobutan]-2'-ones, methods for their manufacture and intermediates useful therein SCHERING CORPORATION (US) 1976-07-06 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 (1 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD HTR2C 489/4885CHRNB4 2245/4885CHRNA3 1519/4885

“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.