SCHEMBL21451253

SCHEMBL21451253

CC(C)(C)CN1CCC[C@H]1CCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
GALR3 O60755 1/20 0.36
VEGFA P15692 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.34
TERT O14746 2/20 0.33
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL12156688 0.85 POLB (0.42) L3MBTL1ALDH1A1POLB
SCHEMBL12891024 0.85 POLB (0.42) L3MBTL1ALDH1A1POLB
SCHEMBL12891026 0.85 POLB (0.42) L3MBTL1ALDH1A1POLB
SCHEMBL24503572 0.83 S1PR1 (0.39) L3MBTL1S1PR1S1PR3S1PR5S1PR4
SCHEMBL6629974 0.80 ALDH1A1 (0.49) L3MBTL1VEGFAEGLN1S1PR1S1PR3
SCHEMBL20999795 0.80 ALDH1A1 (0.49) L3MBTL1VEGFAEGLN1S1PR1S1PR3
SCHEMBL13500529 0.79 CFB (0.38) L3MBTL1ALDH1A1TERTPOLB
SCHEMBL13212589 0.79 CFB (0.38) L3MBTL1ALDH1A1TERTPOLB
SCHEMBL13212595 0.79 CFB (0.38) L3MBTL1ALDH1A1TERTPOLB
SCHEMBL12966705 0.79 ATM (0.43) L3MBTL1S1PR1S1PR3S1PR5S1PR4

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-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. 2021-08-03 US disclosed
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD (CN) 2019-10-10 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-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 L3MBTL1 3074/4885GALR3 4742/4885VEGFA 4349/4885
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof PDCD1, CD274, PDCD1LG2 L3MBTL1 3074/4885GALR3 4742/4885VEGFA 4349/4885

“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.