SCHEMBL196204

SCHEMBL196204

c1ccc2c(c1)CC1(C2)Cc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.38
HDAC9 Q9UKV0 1/20 0.37
HTR2C P28335 1/20 0.36
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
AHR P35869 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL29775334 0.87 SIGMAR1 (0.41) SIGMAR1TSHRCYP1A2HDAC9HTR2C
SCHEMBL22717802 0.87 SIGMAR1 (0.41) SIGMAR1TSHRCYP1A2HDAC9HTR2C
SCHEMBL15720982 0.82 TSHR (0.41) SIGMAR1TSHR
SCHEMBL13437222 0.80 TSHR (0.49) SIGMAR1TSHRCYP1A2HTR2CMAOA
SCHEMBL11706445 0.80 ALDH1A1 (0.41) SIGMAR1TSHR
SCHEMBL31012316 0.80 SIGMAR1 (0.34) SIGMAR1TSHRCYP1A2HDAC9MAOA
SCHEMBL30529399 0.80 ALDH1A1 (0.41) SIGMAR1TSHR
SCHEMBL21788503 0.80 HTR2C (0.40) SIGMAR1HTR2CMAOBDRD2AHR
SCHEMBL29610357 0.80 HTR2C (0.40) SIGMAR1HTR2CMAOBDRD2AHR
SCHEMBL24424921 0.78 TDP1 (0.43) HTR2CAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250296076-A1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS INV NYLON CHEMICALS AMERICAS, LLC 2025-09-25 US disclosed
CN-114380866-A Organic electroluminescent material and device 环球展览公司 2022-04-22 CN disclosed
US-8969628-B2 Method for enriching a homogeneous catalyst from a process flow EVONIK DEGUSSA GMBH (DE) 2015-03-03 US disclosed
EP-2401078-B1 METHOD FOR ENRICHING A HOMOGENOUS CATALYST FROM A PROCESS FLOW EVONIK DEGUSSA GMBH (DE) 2013-10-23 EP disclosed
US-20120046503-A1 METHOD FOR ENRICHING A HOMOGENEOUS CATALYST FROM A PROCESS FLOW EVONIK OXENO GMBH (DE) 2012-02-23 US disclosed
EP-2401078-A1 METHOD FOR ENRICHING A HOMOGENOUS CATALYST FROM A PROCESS FLOW Evonik Oxeno GmbH (DE) 2012-01-04 EP disclosed
WO-2010097376-A1 METHOD FOR ENRICHING A HOMOGENOUS CATALYST FROM A PROCESS FLOW EVONIK OXENO GMBH (DE) 2010-09-02 WO disclosed
US-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1559707-A1 SPIRO COMPOUNDS, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP disclosed
US-6288206-B1 MIXED WITH DYE; HEAT RESISTANCE, STABILITY; ELECTROOPTICS; MOLECULAR OPTOELECTRONICS CORPORATION 2001-09-11 US disclosed
WO-2000054103-A1 CHIRAL POLYMER COMPOSITIONS EXHIBITING NONLINEAR OPTICAL PROPERTIES MOLECULAR OPTOELECTRONICS CORPORATION (US) 2000-09-14 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 (3 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-20250296076-A1 MULTIDENTATE PHOSPHITE LIGANDS, CATALYTIC COMPOSITIONS CONTAINING SUCH LIGANDS, AND CATALYTIC PROCESSES UTILIZING SUCH CATALYTIC COMPOSITIONS PHOSPHO1, PPA1, PNKP SIGMAR1 3776/4885TSHR 2871/4885CYP1A2 3778/4885
US-20050256308-A1 Spiro compounds, medicinal compositions containing the same and intermediates of the compounds ESRRA, ESR1, BRCA1 SIGMAR1 222/4885TSHR 120/4885CYP1A2 1483/4885
US-20120046503-A1 METHOD FOR ENRICHING A HOMOGENEOUS CATALYST FROM A PROCESS FLOW PARG, PHOSPHO1, COG6 SIGMAR1 2870/4885TSHR 4505/4885CYP1A2 3899/4885

“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.