SCHEMBL20172803

SCHEMBL20172803

Cc1cccc2c1oc1c(N(C)c3ccccc3C(F)(F)F)cccc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
ACP1 P24666 1/20 0.33
ELANE P08246 1/20 0.33
MAPT P10636 1/20 0.33
RORC P51449 1/20 0.32
KIF11 P52732 1/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
AR P10275 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL20172837 0.90 ACP1 (0.35) ACP1RORCKIF11ESR1CYP1A2
SCHEMBL20172835 0.89 ACP1 (0.33) ACP1ELANEMAPTKIF11CYP1A2
SCHEMBL20172798 0.87 GABRA1 (0.37) MCL1ELANEKIF11
SCHEMBL20172828 0.86 ACP1 (0.33) ACP1RORCKIF11ESR1CYP1A2
SCHEMBL20172811 0.86 ACP1 (0.33) ACP1RORCKIF11ESR1CYP1A2
SCHEMBL20650423 0.85 ELANE (0.33) MCL1ACP1ELANEMAPTRORC
SCHEMBL20172799 0.84 MEN1 (0.42) ACP1MAPTKIF11ESR1CYP1A2
SCHEMBL20172859 0.84 ACP1 (0.34) ACP1KIF11ESR1CYP1A2CYP2D6
SCHEMBL20172797 0.84 MCL1 (0.39) MCL1CYP1A2
SCHEMBL20172842 0.83 ACP1 (0.33) ACP1KIF11CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 MCL1 1592/4885ACP1 4508/4885ELANE 3831/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MCL1 2135/4885ACP1 4663/4885ELANE 1188/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MCL1 1592/4885ACP1 4508/4885ELANE 3831/4885

“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.