SCHEMBL21148397

SCHEMBL21148397

BC(C)(C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
PTPN1 P18031 5/20 0.47
PTPN5 P54829 4/20 0.47
MAOA P21397 1/20 0.46
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL23106342 0.84 RXRA (0.42) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL779683 0.82 KIF11 (0.70) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL3681495 0.82 KIF11 (0.53) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL23026518 0.81 ESR1 (0.44) KIF11CYP3A4ALDH1A1MAPK1
SCHEMBL25693197 0.80 KIF11 (0.68) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL28423705 0.80 CNR1 (0.53) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL548430 0.78 RXRA (0.53) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL28297682 0.78 PTPN1 (0.58) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL6248959 0.78 KIF11 (0.50) KIF11RXRARXRBPTPN1PTPN5
SCHEMBL6982792 0.78 RXRA (0.53) KIF11RXRARXRBPTPN1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287024-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2023-09-14 US disclosed
US-11731995-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-08-22 US disclosed
US-20220213132-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2022-07-07 US disclosed
US-11352384-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-06-07 US disclosed
US-20190211042-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-11 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 (5 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-20190211042-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME LEF1, ORC3, CRY1 KIF11 2567/4885RXRA 2844/4885RXRB 3082/4885
US-20220213132-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME LEF1, ORC3, CRY1 KIF11 2567/4885RXRA 2844/4885RXRB 3082/4885
US-11731995-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the same LEF1, ORC3, CRY1 KIF11 2567/4885RXRA 2844/4885RXRB 3082/4885
US-11352384-B2 Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the same LEF1, ORC3, CRY1 KIF11 2567/4885RXRA 2844/4885RXRB 3082/4885
US-20230287024-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE SAME LEF1, ORC3, CRY1 KIF11 2567/4885RXRA 2844/4885RXRB 3082/4885

“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.