SCHEMBL486901

SCHEMBL486901

CCCCCCCCC1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
HLCS P50747 1/20 0.38
CYP19A1 P11511 3/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8024040 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL115579 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27762281 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
Nonane SCHEMBL17844420 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6897307 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27960807 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL715196 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29114737 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL113288 0.98 CYP1A2 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13900594 0.98 CYP1A2 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2LMNA

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
EP-1178031-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE DAICEL CHEM (JP) 2012-02-01 EP disclosed
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 EP disclosed
US-6548713-B2 Efficiently producing a compound having an alkyl group or alkenyl group bonded at the alpha position of an electron attractive group, by catalytic radical addition reaction with compound of Group 5,6,7,8, or 9 DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-15 US disclosed
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-07 US disclosed
EP-1178031-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH MANGANESE CATALYSTS OR THE LIKE Daicel Chemical Industries, Ltd. (JP) 2002-02-06 EP disclosed
US-5081309-A PREPARATION OF 2-ALKYLCYCLOPENTANONES BASF AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
EP-0194591-B1 PROCESS FOR THE PREPARATION OF 2-ALKYL-CYCLOPENTANONES BASF Aktiengesellschaft (DE) 1988-08-24 EP disclosed
EP-0194591-A2 Process for the preparation of 2-alkyl-cyclopentanones BASF Aktiengesellschaft (DE) 1986-09-17 EP disclosed
US-4322561-A COMPRISING REACTING AN OLEFIN AND A KETONE IN THE PRESENCE OF AN AMINE AND MANGANESE ACETATE ANIO S.P.A. (IT) 1982-03-30 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 (2 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-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 CYP1A2 140/4885NPC1 2205/4885RAB9A 995/4885
US-20020165416-A1 Process for the preparation of organic compounds with manganese cataylsts or the like SOD1, CAT, SOD3 CYP1A2 1802/4885NPC1 1935/4885RAB9A 717/4885

“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.