Sugi Predict

Sugi Predict / Compounds / SCHEMBL4462287

SCHEMBL4462287

SCHEMBL4462287

CC1(C)CC2(CC(C)(C)c3ccc(O)c(Cl)c32)c2c1ccc(O)c2Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD11B1 P28845 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ FTO Q9C0B1 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TNNI3 P19429 1/20 0.32
▸ TNNT2 P45379 1/20 0.32
▸ TNNC1 P63316 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ DRD5 P21918 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL9326775 0.81 CYP1A2 (0.46) TP53CYP1A2MEN1TNNI3TNNT2
SCHEMBL29404169 0.79 CYP1A2 (0.49) TP53CYP1A2MEN1TNNI3TNNT2
SCHEMBL4458909 0.79 CYP1A2 (0.49) TP53CYP1A2MEN1TNNI3TNNT2
SCHEMBL23450027 0.78 TP53 (0.43) TP53CYP1A2MEN1TNNI3TNNT2
SCHEMBL8012808 0.75 TP53 (0.53) TP53CYP1A2MEN1TNNI3TNNT2
SCHEMBL4474118 0.75 TP53 (0.41) TP53CYP1A2CYP3A4MAPK1FTO
SCHEMBL29740745 0.75 TP53 (0.39) TP53CYP1A2CYP3A4MAPK1MEN1
SCHEMBL4455636 0.75 TP53 (0.39) TP53CYP1A2CYP3A4MAPK1MEN1
SCHEMBL21565070 0.74 TP53 (0.44) TP53CYP1A2MEN1TNNI3TNNT2
SCHEMBL4464517 0.73 FTO (0.39) CYP1A2CYP3A4MAPK1HSD11B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 — — US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 — — US disclosed
US-6028161-A EXCELLENT TRANSPARENCY, HEAT RESISTANCE AND MECHANICAL PROPERTIES AND A LOW BIREFRINGENCE, MELT FLUIDITY AND MOLDABILITY; AN OPTICAL DISK, LENS AND AN OPTICAL FIBER MITSUI CHEMICALS, INC. (JP) 2000-02-22 — — US disclosed
EP-0926180-A2 A polycarbonate copolymer and applications thereof Mitsui Chemicals, Inc. (JP) 1999-06-30 — — EP 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-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ORMDL3, TALDO1, TAC3 TP53 4784/4885CYP1A2 1246/4885CYP3A4 1674/4885
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ORMDL3, TALDO1, TAC3 TP53 4776/4885CYP1A2 1208/4885CYP3A4 1623/4885

“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.