SCHEMBL20172795

SCHEMBL20172795

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 3/20 0.38
CNR2 P34972 2/20 0.38
SIGMAR1 Q99720 1/20 0.35
MCL1 Q07820 1/20 0.34
LMNA P02545 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL21019995 0.90 SIGMAR1 (0.37) SIGMAR1LMNAGABRA1GABRB2FAAH
SCHEMBL21019996 0.89 SIGMAR1 (0.35) GPR55CNR2SIGMAR1LMNAGABRA1
SCHEMBL20172797 0.85 MCL1 (0.39) SIGMAR1MCL1MAOAMAOBCYP1A2
SCHEMBL20650421 0.84 GPR55 (0.37) GPR55CNR2SIGMAR1MCL1LMNA
SCHEMBL20172806 0.84 SIGMAR1 (0.37) SIGMAR1GABRA1GABRB2
SCHEMBL20172787 0.84 ALOX5 (0.36) SIGMAR1LMNAGABRA1GABRB2MAOA
SCHEMBL20172861 0.83 SIGMAR1 (0.34) SIGMAR1GABRA1GABRB2
SCHEMBL21021444 0.82 SIGMAR1 (0.33) GPR55CNR2SIGMAR1GABRA1GABRB2
SCHEMBL20172827 0.82 SIGMAR1 (0.33) SIGMAR1GABRA1GABRB2CYP3A4ALDH1A1
SCHEMBL20172840 0.81 P2RX7 (0.35) SIGMAR1

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 GPR55 1619/4885CNR2 913/4885SIGMAR1 1467/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 GPR55 4745/4885CNR2 3327/4885SIGMAR1 2480/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GPR55 1619/4885CNR2 913/4885SIGMAR1 1467/4885

“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.