SCHEMBL6023073

SCHEMBL6023073

C=CC1(O)Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HDAC9 Q9UKV0 1/20 0.33
TSHR P16473 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
PRCP P42785 1/20 0.30

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
SCHEMBL32683479 1.00 ADRA1D (0.35) ADRA1DADRA1AADRA1BHDAC9TSHR
SCHEMBL3659892 0.76 HDAC9 (0.37) HDAC9TSHRCA1CA2
SCHEMBL14659945 0.74 ADRA1D (0.38) ADRA1DADRA1AADRA1BHDAC9PRCP
SCHEMBL8162156 0.71 HDAC9 (0.39) HDAC9TSHRCA1CA2
SCHEMBL9770120 0.70 HDAC9 (0.41) HDAC9TSHR
SCHEMBL9770009 0.70 HDAC9 (0.37) ADRA1DADRA1AADRA1BHDAC9TSHR
Hydrochloric Acid SCHEMBL9770018 0.69 HDAC9 (0.40) HDAC9TSHR
SCHEMBL856816 0.69 NOTUM (0.38) HDAC9
SCHEMBL27817498 0.68 ADRA1D (0.33) ADRA1DADRA1AADRA1BPRCP
SCHEMBL8061057 0.68 HTR2A (0.39) ADRA1DADRA1AADRA1BPRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336703-B2 Process for the synthesis of ivacaftor and related compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-07-02 US disclosed
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-05-10 US disclosed
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-05-10 US disclosed
US-8425784-B2 Ozonolysis reactions in liquid CO2 and CO2-expanded solvents UNIVERSITY OF KANSAS (US) 2013-04-23 US disclosed
US-20090118498-A1 OZONOLYSIS REACTIONS IN LIQUID CO2 AND CO2-EXPANDED SOLVENTS ARCHER DANIELS MIDLAND COMPANY 2009-05-07 US disclosed
US-7129263-B2 Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER INC. 2006-10-31 US disclosed
EP-1675829-A1 PREPARATION OF 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES Pfizer Products Inc. (US) 2006-07-05 EP disclosed
US-20050113437-A1 Preparation of 3-azabicyclo [3.1.0] hexane derivatives PFIZER INC. 2005-05-26 US disclosed
WO-2005037790-A1 PREPARATION OF 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-04-28 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 (3 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-10336703-B2 Process for the synthesis of ivacaftor and related compounds AVPR1A, ACVR1, AVPR2 ADRA1D 6/4885ADRA1A 8/4885ADRA1B 24/4885
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS AVPR1A, ACVR1, AVPR2 ADRA1D 6/4885ADRA1A 8/4885ADRA1B 24/4885
US-20050113437-A1 Preparation of 3-azabicyclo [3.1.0] hexane derivatives ADH1C, ADH1A, ADH5 ADRA1D 86/4885ADRA1A 290/4885ADRA1B 218/4885

“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.