SCHEMBL31009657

SCHEMBL31009657

CC[C@H](c1cnn(CCO)c1)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CREBBP Q92793 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ AR P10275 1/20 0.34
▸ EP300 Q09472 3/20 0.33
▸ HAT1 O14929 2/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ GRIA4 P48058 1/20 0.33
▸ TAS2R8 Q9NYW2 1/20 0.33
▸ MPO P05164 1/20 0.33
▸ ALKBH1 Q13686 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL31009656 1.00 ALDH1A1 (0.39) ALDH1A1L3MBTL1CREBBPJAK2JAK1
SCHEMBL30784876 0.85 KDM5A (0.40) ALDH1A1L3MBTL1CREBBPJAK2JAK1
SCHEMBL31009597 0.85 KDM5A (0.40) ALDH1A1L3MBTL1CREBBPJAK2JAK1
SCHEMBL31009616 0.85 KDM5A (0.40) ALDH1A1L3MBTL1CREBBPJAK2JAK1
SCHEMBL31009725 0.83 IKBKE (0.36) ALDH1A1L3MBTL1CREBBPJAK2JAK1
SCHEMBL31009589 0.83 IKBKE (0.36) ALDH1A1L3MBTL1CREBBPJAK2JAK1
SCHEMBL31009626 0.82 CYP1A2 (0.42) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL31009642 0.82 CYP1A2 (0.42) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL31009677 0.81 EP300 (0.37) ALDH1A1L3MBTL1CREBBPAREP300
SCHEMBL31009606 0.81 CREBBP (0.39) ALDH1A1L3MBTL1CREBBPJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246946-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-07-25 — — 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 (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-20240246946-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 ALDH1A1 693/4885L3MBTL1 3434/4885CREBBP 112/4885

“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.

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