SCHEMBL23448995

SCHEMBL23448995

CC(C)(C)c1ccc(O)cc1[C@]1(C)CC(C)(C)c2ccc(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.35
OPRM1 P35372 11/20 0.32
OPRD1 P41143 7/20 0.31
OPRK1 P41145 6/20 0.31
GAA P10253 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3414960 0.84 ALDH1A1 (0.38) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL8405048 0.80 LMNA (0.38) ALDH1A1LMNACYP3A4OPRM1OPRD1
SCHEMBL8403336 0.79 ALDH1A1 (0.37) ALDH1A1LMNACYP3A4OPRM1OPRD1
SCHEMBL7996227 0.77 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4OPRM1OPRD1
SCHEMBL7996188 0.77 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4OPRM1OPRD1
SCHEMBL728580 0.77 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4OPRM1OPRD1
SCHEMBL29459356 0.77 ALDH1A1 (0.38) ALDH1A1LMNACYP3A4OPRM1OPRD1
SCHEMBL8000482 0.76 LMNA (0.38) ALDH1A1LMNAHTTCYP3A4OPRD1
SCHEMBL7127931 0.76 ESR1 (0.37) ALDH1A1LMNAALOX15NR1I2CYP2C9
SCHEMBL9721391 0.75 OPRM1 (0.41) ALDH1A1LMNAALOX15CYP2C9HSD17B10

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 2 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

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 ALDH1A1 199/4885LMNA 3719/4885ALOX15 2266/4885
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ORMDL3, TALDO1, TAC3 ALDH1A1 202/4885LMNA 3735/4885ALOX15 2345/4885

“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.