SCHEMBL9492857

SCHEMBL9492857

c1ccc2c(c1)CCCC1OC21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
ADRA2A P08913 4/20 0.42
ADRA1A P35348 4/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRNA7 P36544 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL5852536 1.00 IDO1 (0.50) IDO1ADRA2AADRA1AADRA2BADRA2C
SCHEMBL5852603 0.88 IDO1 (0.47) IDO1
SCHEMBL7108519 0.88 IDO1 (0.47) IDO1
SCHEMBL1109727 0.88 IDO1 (0.47) IDO1
SCHEMBL28971366 0.88 IDO1 (0.47) IDO1
SCHEMBL2610198 0.77 HTR2A (0.41) IDO1LMNAOPRM1KMT2A
SCHEMBL2370159 0.74 KMT2A (0.46) KMT2A
SCHEMBL145977 0.74 IDO1 (0.57) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL8201616 0.74 KMT2A (0.46) KMT2A
SCHEMBL5061699 0.74 KMT2A (0.46) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812184-B2 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-10-12 US disclosed
US-7812184-B2 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-10-12 US disclosed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20080234502-A1 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20080234502-A1 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
EP-0329563-B1 BENZOCYCLOHEXANE AND BENZOCYCLOHEPTANE DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-04-21 EP disclosed
US-5130329-A Amino, amide substituted compounds ROUSSEL UCLAF (FR) 1992-07-14 US disclosed
US-5068244-A Benzcarbocyclic amides with nitro groups ROUSSEL UCLAF (FR) 1991-11-26 US disclosed
EP-0329563-A2 Benzocyclohexane and benzocycloheptane derivatives and their salts, process and intermediates for their preparation, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1989-08-23 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 (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-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 IDO1 3023/4885ADRA2A 1669/4885ADRA1A 1002/4885
US-20080234502-A1 Production method of optically active epoxy compound, complex used for the method and production method of the complex EPOR, OSTC, CYP51A1 IDO1 2534/4885ADRA2A 1825/4885ADRA1A 1441/4885

“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.