SCHEMBL20796148

SCHEMBL20796148

Cc1cc(C)cc(-c2ccc(I)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
CNR2 P34972 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
ALDH1A1 P00352 3/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35
CNR1 P21554 1/20 0.32
ESR1 P03372 1/20 0.32
PTGS2 P35354 1/20 0.32
APP P05067 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
METAP2 P50579 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL25813358 0.90 RXRA (0.42) RXRARXRBCNR2RAPGEF4PTGS2
SCHEMBL10068159 0.84 ACHE (0.42) RXRARXRBRAPGEF4ACHEESR1
SCHEMBL23625589 0.81 ABL1 (0.39) RXRARXRBRAPGEF4ESR1APP
SCHEMBL1046627 0.80 RXRA (0.56) RXRARXRBCNR2ALDH1A1ACHE
SCHEMBL19004134 0.80 ACHE (0.50) RAPGEF4ALDH1A1ACHETSHRPTGS2
SCHEMBL17469595 0.80 ACHE (0.50) RAPGEF4ALDH1A1ACHETSHRPTGS2
SCHEMBL4392845 0.80 ACHE (0.50) RAPGEF4ALDH1A1ACHETSHRPTGS2
SCHEMBL1989297 0.80 ESR1 (0.47) ALDH1A1ESR1APPMETAP2HDAC8
SCHEMBL16801860 0.78 ENPP3 (0.49) ALDH1A1ACHETSHRHSD17B1HSD17B2
SCHEMBL12129696 0.77 TSHR (0.37) RXRARXRBRAPGEF4ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11832509-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-11-28 US disclosed
US-20230322828-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-20230134873-A1 COMPOSITION, LAYER INCLUDING THE COMPOSITION, LIGHT-EMITTING DEVICE INCLUDING THE COMPOSITION, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-04 US disclosed
US-20220102654-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-03-31 US disclosed
US-20220052263-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD., (KR) 2022-02-17 US disclosed
US-10937975-B2 Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-02 US disclosed
US-20200395559-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-17 US disclosed
US-20190135844-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-05-09 US disclosed
US-20190074454-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND VERSITECH LIMITED (CN) 2019-03-07 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 (8 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-20200395559-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND L1CAM, NOM1, MEN1 RXRA 4018/4885RXRB 4125/4885CNR2 3864/4885
US-20190135844-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND ORC3, ORMDL3, OR10J3 RXRA 3354/4885RXRB 3629/4885CNR2 4342/4885
US-10937975-B2 Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound ORC3, OCIAD1, LEF1 RXRA 3439/4885RXRB 3578/4885CNR2 4315/4885
US-20220102654-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE OCIAD1, ORC3, LIG1 RXRA 4153/4885RXRB 4478/4885CNR2 4543/4885
US-20220052263-A1 AMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AOC2, ODC1, AOC1 RXRA 4251/4885RXRB 4326/4885CNR2 678/4885
US-11832509-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound L1CAM, NOM1, MEN1 RXRA 4018/4885RXRB 4125/4885CNR2 3864/4885
US-20190074454-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND ORC3, OCIAD1, LEF1 RXRA 3439/4885RXRB 3578/4885CNR2 4315/4885
US-20230322828-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE C1S, CCNE2, CHRM1 RXRA 3447/4885RXRB 3609/4885CNR2 990/4885

“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.