SCHEMBL20172827

SCHEMBL20172827

CC(C)c1ccccc1N(C)c1cccc2c1oc1c(C(C)(C)C)cccc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KIF11 P52732 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21019993 0.90 SIGMAR1 (0.33) SIGMAR1CRHBPCRHR2KIF11GABRA1
SCHEMBL20172840 0.88 P2RX7 (0.35) SIGMAR1CRHBPCRHR2KIF11
SCHEMBL21019995 0.86 SIGMAR1 (0.37) SIGMAR1GABRA1GABRB2CYP3A4
SCHEMBL20172831 0.86 KIF11 (0.35) SIGMAR1KIF11ALDH1A1CYP2C19
SCHEMBL20650483 0.86 SIGMAR1 (0.30) SIGMAR1KIF11
SCHEMBL20067365 0.84
SCHEMBL20172795 0.82 GPR55 (0.38) SIGMAR1GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL20172830 0.82 GABRA1 (0.37) KIF11GABRA1GABRB2ALDH1A1CYP2C19
SCHEMBL24501820 0.81 GABRA1 (0.35) KIF11GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL20172826 0.81 KIF11 (0.32) KIF11CYP2C19

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 SIGMAR1 1467/4885CRHBP 4544/4885CRHR2 4194/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SIGMAR1 1467/4885CRHBP 4544/4885CRHR2 4194/4885

“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.