SCHEMBL1244555

SCHEMBL1244555

OB(O)Oc1ccc(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.45
GSTP1 P09211 1/20 0.44
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ESR2 Q92731 3/20 0.41
ESR1 P03372 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
ALOX5 P09917 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL28659172 0.81 CYP2D6 (0.42) ESR2ALOX5CYP2D6CA1CA2
SCHEMBL3193310 0.80 GSTP1 (0.64) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL3193631 0.78 GSTP1 (0.61) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL31497307 0.78 ALDH1A1 (0.37) HDAC8GPR84CYP1A2CYP2C9CYP2C19
SCHEMBL5428014 0.78 NQO1 (0.60) ERN1GSTP1SLC6A2SLC6A4SLC6A3
SCHEMBL2508673 0.77 GSTP1 (0.47) ERN1GSTP1HDAC4HDAC2HDAC8
SCHEMBL29710463 0.77 GSTP1 (0.47) ERN1GSTP1HDAC4HDAC2HDAC8
SCHEMBL31069702 0.74 GSTP1 (0.61) ERN1GSTP1HDAC4HDAC2HDAC8
SCHEMBL3176171 0.74 GSTP1 (0.61) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL30413770 0.74 ESR1 (0.41) ERN1GSTP1HDAC4HDAC2HDAC8

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
EP-2298771-A2 Organic Light-Emitting Device Samsung Mobile Display Co., Ltd. (KR) 2011-03-23 EP disclosed
US-20110031485-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2011-02-10 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 (1 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-20110031485-A1 ORGANIC LIGHT EMITTING DEVICE TRPC1, TRPC4, TRPC3 ERN1 3561/4885GSTP1 1625/4885HDAC4 1971/4885

“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.