SCHEMBL791817

SCHEMBL791817

c1ccc(C2(OC3(c4ccccc4)CCCCC3)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CYP2B6 P20813 1/20 0.47
PRCP P42785 1/20 0.47
GRIN1 Q05586 1/20 0.47
KCNH2 Q12809 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
DPP4 P27487 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL3815508 0.88 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL5160288 0.84 AKR1C1 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL32679674 0.84 AKR1C1 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL16024156 0.84 OPRM1 (0.54) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL1040539 0.84 OPRM1 (0.54) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL9329728 0.84 AKR1C1 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL556975 0.84 AKR1C1 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL32679684 0.84 AKR1C1 (0.45) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B
SCHEMBL1040389 0.84 OPRM1 (0.54) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL10470903 0.82 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7215900-A None JP disclosed
JP-7215897-A None JP disclosed
US-9242918-B2 Dehydrogenation processes and phenol compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-01-26 US disclosed
US-20130296614-A1 Dehydrogenation Processes and Phenol Compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-11-07 US disclosed
WO-2012036819-A1 DEHYDROGENATION PROCESS OF CYCLOHEXANONE AND PHENOL COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO disclosed
JP-H07215897-A METHOD FOR SIMULTANEOUSLY PRODUCING CYCLOHEXANOL, CYCLOHEXENE AND PHENOLS MITSUBISHI CHEM CORP 1995-08-15 JP disclosed
JP-H07215900-A PRODUCTION OF CYCLOHEXANOL MITSUBISHI CHEM CORP 1995-08-15 JP disclosed
EP-0356858-B1 Process for the separation of cyclohexanol BASF AG (DE) 1994-10-19 EP disclosed
EP-0356863-B1 Process for the separation of cyclohexanol BASF AG (DE) 1994-04-06 EP disclosed
EP-0356863-A2 Process for the separation of cyclohexanol BASF Aktiengesellschaft (DE) 1990-03-07 EP 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-20130296614-A1 Dehydrogenation Processes and Phenol Compositions HPD, CYP2E1, CYP2J2 SLC6A4 4042/4885SLC6A2 4385/4885SLC6A3 3234/4885

“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.