Dihydro-Obliquin

Dihydro-Obliquin

SCHEMBL12062091

CC(C)C1COc2cc3oc(=O)ccc3cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 1.00
▸ KDM4E B2RXH2 11/20 1.00
▸ HPGD P15428 8/20 1.00
▸ HSD17B10 Q99714 8/20 1.00
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ ACHE P22303 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ GAA P10253 6/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MGAM O43451 2/20 0.44
▸ SI P14410 2/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ MGAM2 Q2M2H8 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CA9 Q16790 5/20 0.43
▸ CA12 O43570 4/20 0.43
▸ MCL1 Q07820 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ GLA P06280 2/20 0.43

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
SCHEMBL12075725 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL12075314 0.79 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6664850 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6664851 0.77 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Obliquin SCHEMBL2255488 0.76 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Obliquin SCHEMBL12062102 0.76 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Obliquin SCHEMBL29534204 0.76 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Ayapin SCHEMBL6694210 0.74 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL6843275 0.74 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A
Ayapin SCHEMBL30171405 0.74 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772252-B2 Coumarin compounds as melanogenesis modifiers and uses thereof NEW YORK UNIVERSITY (US) 2014-07-08 — — US disclosed
US-8772252-B2 Coumarin compounds as melanogenesis modifiers and uses thereof NEW YORK UNIVERSITY (US) 2014-07-08 — — US disclosed
US-8563754-B2 Compounds, compositions and methods for preventing skin darkening NEW YORK UNIVERSITY (US) 2013-10-22 — — US disclosed
US-8563754-B2 Compounds, compositions and methods for preventing skin darkening NEW YORK UNIVERSITY (US) 2013-10-22 — — US disclosed
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY 2012-08-30 — — US disclosed
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF NEW YORK UNIVERSITY 2012-08-30 — — US disclosed
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 — — US disclosed
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 — — 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-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF TYR, MC1R, MITF ALDH1A1 246/4885KDM4E 79/4885HPGD 2055/4885
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING TYR, MC1R, MITF ALDH1A1 397/4885KDM4E 274/4885HPGD 574/4885

“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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