SCHEMBL21993761

SCHEMBL21993761

COc1cc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)ccc1O

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.82
▸ KMT2A Q03164 5/20 0.82
▸ POLB P06746 2/20 0.82
▸ ALDH1A1 P00352 1/20 0.66
▸ THRB P10828 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ L3MBTL1 Q9Y468 1/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ NPC1 O15118 1/20 0.65
▸ ALOX5 P09917 2/20 0.64

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
SCHEMBL21993211 0.86 MEN1 (0.63) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11090836 0.83 RAB9A (0.78) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11090834 0.83 RAB9A (0.78) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11080699 0.82 RAB9A (0.78) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11080702 0.82 RAB9A (0.78) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11112931 0.80 ALOX5 (0.65) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11112929 0.80 ALOX5 (0.65) MEN1KMT2APOLBALDH1A1THRB
SCHEMBL11082846 0.80 MEN1 (0.78) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL11082848 0.80 MEN1 (0.78) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL28045595 0.79 MEN1 (0.66) MEN1KMT2APOLB

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 MEN1 523/4885KMT2A 4754/4885POLB 4727/4885
US-11583530-B2 Compounds for the prevention and treatment of medical disorders and uses thereof LGALS1, LGALS2, LGALS3 MEN1 523/4885KMT2A 4754/4885POLB 4727/4885

“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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