SCHEMBL507614

SCHEMBL507614

Cc1ccc(C(=O)C2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
CYP2D6 P10635 1/20 0.66
SRD5A2 P31213 1/20 0.62
LMNA P02545 2/20 0.58
TSHR P16473 1/20 0.58
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MGLL Q99685 2/20 0.54
HSD11B1 P28845 1/20 0.54
HTT P42858 1/20 0.53
POLB P06746 1/20 0.53
KDM2B Q8NHM5 2/20 0.51
ALDH1A1 P00352 2/20 0.51

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
SCHEMBL8119800 0.94 KMT2A (0.68) KMT2AMEN1CYP2D6SRD5A2LMNA
SCHEMBL728685 0.90 KMT2A (0.72) KMT2AMEN1CYP2D6LMNATSHR
Bicarbonate SCHEMBL11484457 0.86 KMT2A (0.68) KMT2AMEN1CYP2D6SRD5A2LMNA
SCHEMBL19226684 0.83 KMT2A (0.84) KMT2AMEN1CYP2D6SRD5A2LMNA
SCHEMBL14596908 0.82 KMT2A (0.64) KMT2AMEN1CYP2D6LMNATSHR
SCHEMBL7486159 0.82 SRD5A2 (0.65) KMT2AMEN1CYP2D6SRD5A2LMNA
SCHEMBL5460665 0.82 SRD5A2 (0.89) KMT2AMEN1CYP2D6SRD5A2LMNA
SCHEMBL9136087 0.82 SRD5A2 (0.65) KMT2AMEN1CYP2D6SRD5A2LMNA
SCHEMBL4670951 0.81 KMT2A (0.62) KMT2AMEN1CYP2D6LMNATSHR
SCHEMBL20134881 0.81 POLB (0.62) KMT2AMEN1CYP2D6LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109369406-B Photocatalytic synthesis method and application of 1-hydroxycyclohexyl phenyl ketone compound 甘肃金盾化工有限责任公司 2021-12-14 CN disclosed
WO-2021003295-A1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2021-01-07 WO disclosed
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-7476755-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-01-13 US disclosed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN disclosed
US-4377689-A Process for preparing spiro derivatives ETABLISSEMENTS NATIVELLE S.A. (FR) 1983-03-22 US disclosed
US-4371538-A Spiro derivatives, process for their preparation and medications containing same ETABLISSEMENTS NATIVELLE S.A. (FR) 1983-02-01 US disclosed
US-4010206-A Method for producing cyclohexanone and alkyl-substituted or unsubstituted phenol UBE INDUSTRIES, LTD. (JA) 1977-03-01 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 (4 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC KMT2A 1610/4885MEN1 2965/4885CYP2D6 647/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 KMT2A 4709/4885MEN1 3723/4885CYP2D6 1932/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO KMT2A 1237/4885MEN1 2815/4885CYP2D6 567/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC KMT2A 1610/4885MEN1 2965/4885CYP2D6 647/4885

“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.