SCHEMBL21992747

SCHEMBL21992747

Cc1ccc(CCc2ccc(/C=C3\CCn4c3nc(=O)c3ccccc34)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMARCA4 P51532 8/20 0.58
▸ PBRM1 Q86U86 6/20 0.58
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CCR3 P51677 1/20 0.43
▸ BLM P54132 1/20 0.42
▸ ALOX5 P09917 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ SMARCA2 P51531 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21992960 0.93 SMARCA4 (0.60) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21992771 0.89 PBRM1 (0.64) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21931876 0.88 SMARCA4 (0.53) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL30859443 0.88 SMARCA4 (0.53) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21931877 0.88 SMARCA4 (0.53) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL25053621 0.88 SMARCA4 (0.53) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL30859440 0.87 SMARCA4 (0.52) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL20704901 0.87 SMARCA4 (0.52) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL25053615 0.84 SMARCA4 (0.58) SMARCA4PBRM1NPC1RAB9ACCR3
SCHEMBL21993752 0.83 SMARCA4 (0.56) SMARCA4PBRM1NPC1RAB9ACCR3

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-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof GALECTIN SCIENCES, LLC (US) 2023-02-21 — — US disclosed
US-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof GALECTIN SCIENCES, LLC 2020-05-14 — — 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-20200147088-A1 Compounds for the Prevention and Treatment of Medical Disorders and Uses Thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885NPC1 165/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 SMARCA4 4569/4885PBRM1 4399/4885NPC1 165/4885

“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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