SCHEMBL20230613

SCHEMBL20230613

CC1(C)c2ccccc2C(c2ccc3c(c2)Oc2cc(-c4ccc(S(=O)(=O)c5ccccc5)cc4)ccc2O3)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.37
HTR6 P50406 4/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
LOX P28300 2/20 0.33
HTR2A P28223 1/20 0.33
CA12 O43570 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
KIF11 P52732 1/20 0.32
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CHRM2 P08172 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
SCHEMBL20230600 0.93 ABCC9 (0.35) ABCC9HTR6CA2CA9CA1
SCHEMBL20230603 0.92 ABCC9 (0.41) ABCC9HTR6HTR2AHTR2BSTING1
SCHEMBL20230641 0.87 ABCC9 (0.35) ABCC9HTR6CA2CA9CA1
SCHEMBL20230590 0.85 ABCC9 (0.39) ABCC9HTR6HTR2AHTR2BCHRM2
SCHEMBL20230638 0.81 ABCC9 (0.38) ABCC9HTR6HTR2AHTR2BCHRM2
SCHEMBL20230586 0.80 HTR6 (0.33) HTR6CA2CA9CA1LOX
SCHEMBL20230612 0.80 PDK2 (0.36) ABCC9HTR2AUSP2GAAHPGD
SCHEMBL24106916 0.78 HTR2A (0.47) HTR6CA2CA9CA1HTR2A
SCHEMBL18417115 0.76 CA2 (0.45) HTR6CA2CA9CA1LOX
SCHEMBL20230619 0.76 MEN1 (0.39) HTR2AKDM4EUSP2HPGDHSD17B10

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-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-12 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 US disclosed
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 ABCC9 4224/4885HTR6 4095/4885CA2 1019/4885
US-10892423-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CCNT1 ABCC9 4224/4885HTR6 4095/4885CA2 1019/4885

“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.