SCHEMBL556400

SCHEMBL556400

OB(O)c1ccccc1-c1c(-c2ccc3ccccc3c2)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GSTP1 P09211 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DNMT1 P26358 1/20 0.38
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
SOS1 Q07889 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL556401 0.85 HDAC4 (0.45) HDAC4HDAC2HDAC8GPR84SLC6A2
SCHEMBL29410296 0.84 GSTP1 (0.52) HDAC4HDAC2HDAC8GPR84SLC6A2
SCHEMBL3686032 0.84 GSTP1 (0.52) HDAC4HDAC2HDAC8GPR84SLC6A2
SCHEMBL28387886 0.81 HDAC4 (0.49) HDAC4HDAC2HDAC8GPR84SLC6A2
SCHEMBL29710463 0.80 GSTP1 (0.47) HDAC4HDAC2HDAC8GPR84SLC6A2
SCHEMBL2508673 0.80 GSTP1 (0.47) HDAC4HDAC2HDAC8GPR84SLC6A2
SCHEMBL196008 0.79 GSTP1 (0.53) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL4606000 0.77 CES1 (0.43) GPR84CA1CA2CYP1A2CYP2C19
Phenanthrene SCHEMBL25209335 0.77 GSTP1 (0.52) HDAC4HDAC2HDAC8GPR84GSTP1
SCHEMBL28397477 0.77 HDAC4 (0.45) HDAC4HDAC2HDAC8GPR84SLC6A2

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
US-8586211-B2 Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same DONGWOO FINE-CHEM CO. LTD. (KR) 2013-11-19 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 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-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 HDAC4 3671/4885HDAC2 1094/4885HDAC8 4281/4885

“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.