SCHEMBL12896005

SCHEMBL12896005

CC(C)(C)OC(=O)N1CCc2cc(C(=O)CO)ccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.67
▸ NR1H2 P55055 1/20 0.59
▸ HDAC6 Q9UBN7 3/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ MAPK1 P28482 1/20 0.47
▸ ABHD6 Q9BV23 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TMEM97 Q5BJF2 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
SCHEMBL1365392 0.89 ESR2 (0.66) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL306991 0.86 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL29406723 0.86 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL1365145 0.86 ESR2 (0.72) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL31553409 0.85 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL31553363 0.85 ESR2 (0.67) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL14063061 0.85 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL4689450 0.85 ESR2 (0.70) ESR2NR1H2HDAC6HDAC8MAPK1
SCHEMBL23124701 0.84 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1
Potassium Ion SCHEMBL4428007 0.84 ESR2 (0.69) ESR2NR1H2HDAC6HDAC8MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 ESR2 3443/4885NR1H2 818/4885HDAC6 1/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 ESR2 3443/4885NR1H2 818/4885HDAC6 1/4885

“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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