SCHEMBL23449276

SCHEMBL23449276

CN1C(=O)C(=C(C#N)C#N)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.66
▸ MAPT P10636 6/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ KDM4E B2RXH2 2/20 0.54
▸ TTR P02766 3/20 0.53
▸ CES1 P23141 1/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ TRPA1 O75762 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ EPHX2 P34913 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL13296055 0.86 ALDH1A1 (0.58) EGFRMAPTALDH1A1KDM4ETTR
SCHEMBL28060386 0.80 TTR (0.62) MAPTALDH1A1KDM4ETTRCES1
SCHEMBL11980490 0.78 IDO1 (0.55) EGFRMAPTALDH1A1TTRCES1
SCHEMBL6325919 0.76 TTR (0.56) MAPTALDH1A1TTRCES1KMT2A
SCHEMBL6325921 0.76 TTR (0.56) MAPTALDH1A1TTRCES1KMT2A
SCHEMBL16127516 0.73 TTR (0.75) MAPTALDH1A1KDM4ETTRCES1
SCHEMBL18780838 0.73 TTR (0.53) EGFRMAPTALDH1A1KDM4ETTR
SCHEMBL13207350 0.72 ALDH1A1 (0.52) MAPTALDH1A1TTRCES1KMT2A
SCHEMBL2824311 0.72 ALDH1A1 (0.52) MAPTALDH1A1TTRCES1KMT2A
SCHEMBL25058853 0.72 MAPT (0.60) EGFRMAPTALDH1A1KDM4ETTR

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 EGFR 3190/4885MAPT 4702/4885ALDH1A1 199/4885
US-20210163514-A1 COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF ORMDL3, TALDO1, TAC3 EGFR 3209/4885MAPT 4698/4885ALDH1A1 202/4885

“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.

Send feedback