SCHEMBL21992755

SCHEMBL21992755

COc1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ ALOX5 P09917 3/20 0.79
▸ MEN1 O00255 5/20 0.77
▸ KMT2A Q03164 5/20 0.77
▸ KDM4E B2RXH2 2/20 0.77
▸ MAPT P10636 2/20 0.77
▸ POLB P06746 2/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ THRB P10828 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ NME2 P22392 2/20 0.59
▸ CCR3 P51677 1/20 0.58
▸ PTGS1 P23219 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ TUBB4A P04350 2/20 0.55
▸ TUBB P07437 2/20 0.55
▸ TUBA3C P0DPH7 2/20 0.55

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
SCHEMBL14882372 1.00 RAB9A (1.00) RAB9ANPC1ALOX5MEN1KMT2A
Isaindigotone SCHEMBL29519815 0.88 ALOX5 (1.00) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL11080702 0.88 RAB9A (0.78) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL11090834 0.88 RAB9A (0.78) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL11080699 0.88 RAB9A (0.78) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL11090836 0.88 RAB9A (0.78) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL11083485 0.88 RAB9A (0.78) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL11083488 0.88 RAB9A (0.78) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL10856275 0.83 MEN1 (0.73) RAB9ANPC1ALOX5MEN1KMT2A
SCHEMBL10856266 0.83 MEN1 (0.73) RAB9ANPC1ALOX5MEN1KMT2A

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 RAB9A 2948/4885NPC1 165/4885ALOX5 570/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 RAB9A 2948/4885NPC1 165/4885ALOX5 570/4885

“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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