SCHEMBL7108519

SCHEMBL7108519

c1ccc2c(c1)CC[C@H]1O[C@@H]21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
PDPK1 O15530 1/20 0.47
CYP11B2 P19099 1/20 0.44
RET P07949 1/20 0.41
HTR2A P28223 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1109727 1.00 IDO1 (0.47) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL28971366 1.00 IDO1 (0.47) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL5852603 1.00 IDO1 (0.47) IDO1PDPK1CYP11B2RETHTR2A
SCHEMBL9492857 0.88 IDO1 (0.50) IDO1
SCHEMBL5852536 0.88 IDO1 (0.50) IDO1
SCHEMBL8201616 0.77 KMT2A (0.46) HTR2A
SCHEMBL5061699 0.77 KMT2A (0.46) HTR2A
SCHEMBL2370159 0.77 KMT2A (0.46) HTR2A
SCHEMBL2696782 0.77 KMT2A (0.46) HTR2A
SCHEMBL18650080 0.75 SRD5A1 (0.43) IDO1PDPK1CYP11B2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637738-A Processes for preparing 1,2-epoxy-1,2,3,4-tetrahydronaphthalenes ZENECA LIMITED (GB) 1997-06-10 US claimed
EP-0686153-B1 CHEMICAL PROCESS FOR PREPARATION OF 1,2-EPOXY-1,2,3,4-TETRAHYDRNAPHTALENE ZENECA LTD (GB) 1997-06-04 EP claimed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
US-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 US disclosed
US-5637738-A Processes for preparing 1,2-epoxy-1,2,3,4-tetrahydronaphthalenes ZENECA LIMITED (GB) 1997-06-10 US disclosed
US-5637738-A Processes for preparing 1,2-epoxy-1,2,3,4-tetrahydronaphthalenes ZENECA LIMITED (GB) 1997-06-10 US disclosed
EP-0686153-B1 CHEMICAL PROCESS FOR PREPARATION OF 1,2-EPOXY-1,2,3,4-TETRAHYDRNAPHTALENE ZENECA LTD (GB) 1997-06-04 EP disclosed
EP-0686153-B1 CHEMICAL PROCESS FOR PREPARATION OF 1,2-EPOXY-1,2,3,4-TETRAHYDRNAPHTALENE ZENECA LTD (GB) 1997-06-04 EP disclosed
EP-0686153-A1 CHEMICAL PROCESS ZENECA LTD (GB) 1995-12-13 EP disclosed
EP-0686153-A1 CHEMICAL PROCESS ZENECA LTD (GB) 1995-12-13 EP disclosed
WO-1994019338-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1994-09-01 WO disclosed
WO-1994019338-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1994-09-01 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 (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-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, PKD1 IDO1 154/4885PDPK1 2942/4885CYP11B2 23/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI IDO1 115/4885PDPK1 2688/4885CYP11B2 32/4885

“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.