SCHEMBL2733818

SCHEMBL2733818

CC(C)(C)Oc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAOB P27338 8/20 0.49
▸ MAOA P21397 4/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CALM1 P0DP23 1/20 0.41

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
SCHEMBL14075677 0.89 MAOB (0.49) ALDH1A1MAPK1NPC1RAB9AMAOB
Ammonia Solution, Strong SCHEMBL19469522 0.79 PPARA (0.49) ALDH1A1MAPK1MAOBCYP3A4LMNA
Boric Acid SCHEMBL29234413 0.79 ALDH1A1 (0.43) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL746722 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL28564927 0.77 LMNA (0.51) ALDH1A1MAPK1RAB9ACYP3A4LMNA
SCHEMBL6165864 0.77 ALDH1A1 (0.78) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL12208553 0.77 MAOB (0.57) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL8129413 0.74 ALDH1A1 (0.61) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL2094812 0.74 ALDH1A1 (0.56) ALDH1A1MAPK1NPC1RAB9AMAOB
SCHEMBL15865374 0.73 KMT2A (0.54) ALDH1A1MAPK1NPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 — — US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 — — US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 — — US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 — — 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 (4 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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 ALDH1A1 2789/4885MAPK1 980/4885NPC1 1976/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 680/4885MAPK1 1471/4885NPC1 1293/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 ALDH1A1 2379/4885MAPK1 849/4885NPC1 1992/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 ALDH1A1 391/4885MAPK1 3023/4885NPC1 2473/4885

“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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