Obliquin

Obliquin

SCHEMBL12062102

C=C(C)[C@H]1COc2cc3oc(=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
▸ KDM4E B2RXH2 9/20 1.00
▸ ALDH1A1 P00352 8/20 1.00
▸ HPGD P15428 7/20 1.00
▸ HSD17B10 Q99714 5/20 1.00
▸ GAA P10253 6/20 0.67
▸ LMNA P02545 2/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ ACHE P22303 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CA9 Q16790 7/20 0.42
▸ CA12 O43570 5/20 0.42
▸ MCL1 Q07820 4/20 0.41
▸ AKR1B1 P15121 3/20 0.41
▸ GLA P06280 3/20 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
Obliquin SCHEMBL2255488 1.00 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
Obliquin SCHEMBL29534204 1.00 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6664850 0.77 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6664851 0.77 ALDH1A1 (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL12075314 0.77 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL14492724 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL13464094 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
Dihydro-Obliquin SCHEMBL12062091 0.76 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10GAA
Ayapin SCHEMBL6694210 0.72 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10GAA
Ayapin SCHEMBL30171405 0.72 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10GAA

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 7 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-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING NEW YORK UNIVERSITY 2011-08-04 — — US disclosed
US-20070293563-A1 Novel Agents for Preventing and Treating Disorders Connected to Impaired Neurotransmission DSM IP ASSETS B.V. (NL) 2007-12-20 — — 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 (3 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-20070293563-A1 Novel Agents for Preventing and Treating Disorders Connected to Impaired Neurotransmission CHRNA2, CHRM1, CHRM5 KDM4E 2225/4885ALDH1A1 757/4885HPGD 743/4885
US-20120220545-A1 COUMARIN COMPOUNDS AS MELANOGENESIS MODIFIERS AND USES THEREOF TYR, MC1R, MITF KDM4E 79/4885ALDH1A1 246/4885HPGD 2055/4885
US-20110190229-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR PREVENTING SKIN DARKENING TYR, MC1R, MITF KDM4E 274/4885ALDH1A1 397/4885HPGD 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.

Send feedback