SCHEMBL23406129

SCHEMBL23406129

CC(C)(C)c1cc2c(c(I)c1O)C1(CC2(C)C)CC(C)(C)c2cc(C(C)(C)C)c(O)c(I)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
CA1 P00915 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
CYP1A2 P05177 3/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 2/20 0.33
HPN P05981 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
SCHEMBL9327962 0.85 CA2 (0.39) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL24604233 0.80 TTR (0.35) HTTMEN1KMT2AL3MBTL1LMNA
SCHEMBL23406091 0.79 HNF4A (0.35) CA2CA1
SCHEMBL21565069 0.78 GABBR2 (0.36) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL9326808 0.77 CYP1A2 (0.35) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL29740749 0.71 ALDH1A1 (0.50) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL4464213 0.71 ALDH1A1 (0.50) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL24053470 0.71 ALOX15 (0.41) SMN1; SMN2ALDH1A1TYRCYP1A2MAPT
SCHEMBL11160785 0.71 ALDH1A1 (0.54) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL23450027 0.68 TP53 (0.43) CYP1A2MEN1KMT2AL3MBTL1TP53

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-11866393-B2 7,7′-dihalo-3,3,3′,3′-tetramethyl-1,1′-spirobiindane and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2024-01-09 US disclosed
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2022-12-20 US disclosed
US-20220213011-A1 7,7'-DIHALO-3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE AND PREPARATION METHOD THEREOF ZHEJIANG UNIVERSITY (CN) 2022-07-07 US disclosed
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ZHEJIANG UNIVERSITY (CN) 2021-06-03 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 (4 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-20220213011-A1 7,7'-DIHALO-3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE AND PREPARATION METHOD THEREOF TALDO1, REN, PKD1 CA2 4450/4885CA1 4395/4885SMN1; SMN2 4121/4885
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ORMDL3, TALDO1, TAC3 CA2 3801/4885CA1 3668/4885SMN1; SMN2 4078/4885
US-11866393-B2 7,7′-dihalo-3,3,3′,3′-tetramethyl-1,1′-spirobiindane and preparation method thereof TALDO1, REN, PKD1 CA2 4491/4885CA1 4438/4885SMN1; SMN2 4120/4885
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ORMDL3, TALDO1, TAC3 CA2 3705/4885CA1 3597/4885SMN1; SMN2 4093/4885

“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.