SCHEMBL24162952

SCHEMBL24162952

COc1cccc(-c2nc3ccc(C(=O)NCC4CCCCO4)cc3o2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.64
▸ RAB9A P51151 7/20 0.58
▸ NPC1 O15118 6/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ POLB P06746 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL24162954 0.97 HPGD (0.68) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL24162961 0.85 NPC1 (0.59) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL24162901 0.84 NPC1 (0.56) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL25414340 0.81 OXTR (0.56) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL16496157 0.80 RAB9A (0.67) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL24163871 0.79 NPC1 (0.59) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1675462 0.78 NPC1 (0.63) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL24163870 0.78 NPC1 (0.57) HPGDRAB9ANPC1ALDH1A1KMT2A
SCHEMBL24162948 0.78 RAB9A (0.57) RAB9ANPC1KMT2AHSP90AA1LMNA
SCHEMBL5835725 0.77 HPSE (0.62) HPGDRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 — — US claimed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 — — US disclosed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 — — US disclosed
US-20230255906-A1 Targeting Serpin B9 in Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-08-17 — — US disclosed
WO-2022006534-A1 TARGETING SERPIN B9 IN CANCER THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-01-06 — — 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-20230255906-A1 Targeting Serpin B9 in Cancer SERPINB10, SERPINB8, SERPINE1 HPGD 1255/4885RAB9A 338/4885NPC1 1048/4885

“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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