Sugi Predict

Sugi Predict / Compounds / SCHEMBL21565062

SCHEMBL21565062

SCHEMBL21565062

Cc1cc2c(c(O)c1OCc1ccccc1)C1(CC2(C)C)CC(C)(C)c2cc(C)c(OCc3ccccc3)c(O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAOB P27338 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTGER4 P35408 2/20 0.36
▸ PTGER3 P43115 2/20 0.36
▸ PTGER2 P43116 2/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ HNF4A P41235 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL24053413 0.82 MAOB (0.39) LMNAHPGDMAOBMAPTTDP1
SCHEMBL21565061 0.77 HNF4A (0.33) PTPN1HNF4A
SCHEMBL24599495 0.73 HNF4A (0.36) LMNAMAOBMAPTHNF4A
SCHEMBL7535983 0.71 LMNA (0.53) LMNAHPGDMAOBMAPTTDP1
SCHEMBL16075023 0.70 MAPT (0.54) LMNAHPGDMAOBMAPTTDP1
SCHEMBL6904905 0.69 PTGER4 (0.56) LMNAHPGDMAOBMAPTTDP1
SCHEMBL29850459 0.68 MAOB (0.50) LMNAMAOBCYP2C19CYP1A2PTGS1
SCHEMBL4469300 0.67 HNF4A (0.36) HNF4ACYP1A2
SCHEMBL16061388 0.67 L3MBTL1 (0.52) LMNAHPGDMAOBMAPTTDP1
SCHEMBL10481838 0.66 MAPT (0.50) LMNAHPGDMAOBMAPTTDP1

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-20220213015-A1 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-7,7'-DIOL ZHEJIANG UNIVERSITY (CN) 2022-07-07 — — 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
WO-2019213987-A1 MONOPHOSPHINE LIGAND BASED ON TETRAMETHYL SPIROBIINDANE SKELETON AND INTERMEDIATE THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江大学 (CN) 2019-11-14 — — 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-20220213015-A1 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-7,7'-DIOL BPGM, BRSK2, TALDO1 LMNA 2480/4885HPGD 405/4885MAOB 2902/4885
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 LMNA 3460/4885HPGD 1198/4885MAOB 3014/4885
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 LMNA 2919/4885HPGD 1814/4885MAOB 3253/4885

“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.