SCHEMBL12355667

SCHEMBL12355667

CC(C)(C)Oc1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OC(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
RXRA P19793 8/20 0.31
RARG P13631 1/20 0.31
PPARG P37231 1/20 0.31
POLB P06746 1/20 0.31
RXRB P28702 4/20 0.31
RXRG P48443 4/20 0.31
RARA P10276 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 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
SCHEMBL12366086 0.88 RXRA (0.40) HSP90AA1RXRARARGPPARGRXRB
SCHEMBL18651749 0.83 POLB (0.40) HSP90AA1GABRA1GABRB2RXRARARG
SCHEMBL20312929 0.82 GABRA1 (0.32) HSP90AA1GABRA1GABRB2RXRARARG
SCHEMBL14817161 0.81 RARG (0.40) HSP90AA1GABRA1GABRB2RXRARARG
SCHEMBL23772217 0.76 SRC (0.35) HSP90AA1GABRA1GABRB2ALDH1A1MAPT
SCHEMBL12355670 0.76 CA1 (0.52) KDM4EALDH1A1CYP1A2ALOX15SMN1; SMN2
SCHEMBL14452690 0.76 HSP90AA1 (0.36) HSP90AA1
SCHEMBL8028400 0.76 CYP1A2 (0.35) HSP90AA1RXRARXRBRXRGRARA
SCHEMBL4018841 0.75 HSP90AA1 (0.38) HSP90AA1GABRA1GABRB2RXRARARG
SCHEMBL23143159 0.73 RXRA (0.50) HSP90AA1RXRARARGPPARGRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404902-B2 Method for separating 1-butene from C4-containing hydrocarbon streams by hydroformylation EVONIK OXENO GMBH (DE) 2013-03-26 US disclosed
US-8003816-B2 Bisphosphite ligands for hydroformylation catalyzed by transition metals EVONIK OXENO GMBH (DE) 2011-08-23 US disclosed
US-20110071321-A1 METHOD FOR SEPERATING 1-BUTENE FROM C4-CONTAINING HYDROCARBON STREAMS BY HYDROFORMYLATION EVONIK OXENO GMBH (DE) 2011-03-24 US disclosed
US-20100036143-A1 BISPHOSPHITE LIGANDS FOR HYDROFORMYLATION CATALYZED BY TRANSITION METALS EVONIK OXENO GMBH (DE) 2010-02-11 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-20100036143-A1 BISPHOSPHITE LIGANDS FOR HYDROFORMYLATION CATALYZED BY TRANSITION METALS SLC9B2, CTR9, POF1B HSP90AA1 3045/4885GABRA1 2357/4885GABRB2 2458/4885
US-20110071321-A1 METHOD FOR SEPERATING 1-BUTENE FROM C4-CONTAINING HYDROCARBON STREAMS BY HYDROFORMYLATION SLC9B2, INTS9, C9 HSP90AA1 4016/4885GABRA1 1671/4885GABRB2 1282/4885

“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.