SCHEMBL31385136

SCHEMBL31385136

Cc1cc(Br)cc2c1CCCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
PRKCI P41743 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
BRD4 O60885 2/20 0.35
HPGD P15428 2/20 0.35
PABPC1 P11940 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL4815304 0.90 ALDH1A1 (0.33) ALDH1A1MAPTLMNANPSR1XBP1
SCHEMBL769083 0.82 ALDH1A1 (0.39) ALDH1A1MAPTLMNAMAPK1MAOA
SCHEMBL23714874 0.81 PBRM1 (0.35) MAPTMAOA
SCHEMBL702951 0.80 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNANPSR1XBP1
SCHEMBL2818508 0.79 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1MAOA
SCHEMBL30917672 0.79 MAOA (0.41) ALDH1A1MAPTLMNAMAPK1MAOA
SCHEMBL3205385 0.79 MAOA (0.44) ALDH1A1MAPTLMNAMAPK1MAOA
SCHEMBL22618638 0.79 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1KDM4EBRD4
SCHEMBL29383571 0.79 ALDH1A1 (0.46) ALDH1A1MAPTNPSR1KDM4EBRD4
SCHEMBL14120402 0.78 ACHE (0.37) ALDH1A1MAPTLMNAMAPK1MAOA

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-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS TREELINE BIOSCIENCES INC (US) 2026-01-22 US disclosed
WO-2025038936-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-02-20 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 (1 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-20260022132-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS KRAS, NRAS, G3BP2 ALDH1A1 1409/4885MAPT 4615/4885LMNA 3571/4885

“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.