Sugi Predict

Sugi Predict / Compounds / SCHEMBL23066871

SCHEMBL23066871

SCHEMBL23066871

CC1(C)CC2(CC(C)(C)c3ccc(-c4ccccc4)c(O)c32)c2c1ccc(-c1ccccc1)c2O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HNF4A P41235 1/20 0.38
▸ HDAC4 P56524 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ESR2 Q92731 1/20 0.35
▸ RARB P10826 2/20 0.35
▸ RARG P13631 2/20 0.35
▸ RXRA P19793 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PDE4B Q07343 3/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ RARA P10276 1/20 0.33

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
SCHEMBL29740746 1.00 HNF4A (0.38) HNF4AHDAC4HDAC2HDAC8HDAC6
SCHEMBL23066873 0.85 RARB (0.33) RARBRARGRXRARARAPTPN1
SCHEMBL19124737 0.81 CYP1A2 (0.39) ESR2RARBRARGBACE1ALOX5
SCHEMBL29403581 0.81 CYP1A2 (0.39) ESR2RARBRARGBACE1ALOX5
SCHEMBL24604217 0.81 PGR (0.35) RARBRARGRXRARARAPGR
SCHEMBL24604251 0.81 ALOX5AP (0.33) RARBRARGRXRARARAPGR
SCHEMBL21565201 0.79 AVPR2 (0.35) ALOX5ALDH1A1HPGDCYP1A2PTPN1
SCHEMBL23066870 0.77 MEN1 (0.35) RARBRARGRXRAALDH1A1RARA
SCHEMBL24599495 0.77 HNF4A (0.36) HNF4AHDAC4HDAC2HDAC8ESR2
SCHEMBL29740755 0.77 MEN1 (0.35) RARBRARGRXRAALDH1A1RARA

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-11377457-B2 3,3,3',3'-tetramethyl-1,1'-spirobiindane-based monophosphine ligand, intermediates thereof, preparation method and use of the same ZHEJIANG UNIVERSITY (CN) 2022-07-05 — — US disclosed
US-11377457-B2 3,3,3',3'-tetramethyl-1,1'-spirobiindane-based monophosphine ligand, intermediates thereof, preparation method and use of the same ZHEJIANG UNIVERSITY (CN) 2022-07-05 — — US disclosed
US-20210070789-A1 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED MONOPHOSPHINE LIGAND, INTERMEDATES TEHREOF, PREPARATION METHOD AND USE OF THE SAME ZHEJIANG UNIVERSITY (CN) 2021-03-11 — — US disclosed
US-20210070789-A1 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED MONOPHOSPHINE LIGAND, INTERMEDATES TEHREOF, PREPARATION METHOD AND USE OF THE SAME ZHEJIANG UNIVERSITY (CN) 2021-03-11 — — 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-11377457-B2 3,3,3',3'-tetramethyl-1,1'-spirobiindane-based monophosphine ligand, intermediates thereof, preparation method and use of the same PHOSPHO1, TPI1, TPR HNF4A 3811/4885HDAC4 4094/4885HDAC2 3181/4885
US-20210070789-A1 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED MONOPHOSPHINE LIGAND, INTERMEDATES TEHREOF, PREPARATION METHOD AND USE OF THE SAME PHOSPHO1, TPI1, TALDO1 HNF4A 3267/4885HDAC4 3624/4885HDAC2 3017/4885

“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.