SCHEMBL20061801

SCHEMBL20061801

c1ccc2c(c1)C1c3ccncc3C2c2cc3ccccc3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK1 P49759 1/20 0.36
PDPK1 O15530 1/20 0.35

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
SCHEMBL20061785 0.88 L3MBTL1 (0.38) KDM4EHTTPOLBRAD52NPC1
SCHEMBL20061808 0.86 KDM4E (0.33) KDM4EHTTPOLBRAD52NPC1
SCHEMBL20061790 0.86 PDPK1 (0.35) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL20061810 0.86 KDM4E (0.33) KDM4EHTTPOLBRAD52ALDH1A1
SCHEMBL20061818 0.84 MAPK9 (0.37) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL20061791 0.84 MAPK9 (0.37) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL31379941 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPKMCYP1A2
SCHEMBL31123508 0.81 ALDH1A1 (0.42) KDM4EALDH1A1HPGDPKMCYP1A2
SCHEMBL20061789 0.75 KDM4E (0.40) CYP17A1CYP19A1CYP11B1CYP11B2KDM4E
SCHEMBL20061803 0.74 HSP90AA1 (0.37) KDM4EHTTPOLBRAD52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11239432-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-02-01 US disclosed
US-20180108848-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-19 US disclosed
US-20180108848-A1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-04-19 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-11239432-B2 Organic electroluminescent materials and devices OCIAD1, OSBP, OCIAD2 CYP17A1 1840/4885CYP19A1 526/4885CYP11B1 376/4885
US-20180108848-A1 Organic electroluminescent materials and devices OSBP, OSBP2, OCIAD2 CYP17A1 3110/4885CYP19A1 1250/4885CYP11B1 966/4885

“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.