SCHEMBL23310407

SCHEMBL23310407

CC(C)Cc1ccc2c(-c3cccc4c3oc3ccccc34)ncnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 1/20 0.41
ALOX5 P09917 2/20 0.38
PPARG P37231 2/20 0.36
NCOA2 Q15596 2/20 0.36
NCOA1 Q15788 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GGPS1 O95749 1/20 0.35
ECE1 P42892 2/20 0.34
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PRKDC P78527 2/20 0.33
HPGD P15428 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
CREBBP Q92793 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LIMK1 P53667 1/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL24596447 0.80 ADK (0.47) ADKALOX5PPARGNCOA2NCOA1
SCHEMBL22391527 0.76 ALOX5 (0.41) ALOX5PPARGNCOA2NCOA1ALDH1A1
SCHEMBL25494057 0.73 ECE1 (0.36) ALOX5PPARGNCOA2NCOA1ALDH1A1
SCHEMBL25896775 0.72 PRKDC (0.42) ALOX5GGPS1PRKDC
SCHEMBL24146492 0.72 ECE1 (0.32) PPARGNCOA2NCOA1ALDH1A1ECE1
SCHEMBL30286256 0.72 ECE1 (0.32) PPARGNCOA2NCOA1ALDH1A1ECE1
SCHEMBL26296887 0.72 PDE10A (0.33) PPARGNCOA2NCOA1ALDH1A1ECE1
SCHEMBL19901834 0.71 CYP1A2 (0.55) ALDH1A1ECE1HPGDMAPTSMN1; SMN2
SCHEMBL25764592 0.71 ECE1 (0.54) ALDH1A1ECE1HPGDMAPTSMN1; SMN2
SCHEMBL4549425 0.71 ALOX5 (0.46) ALOX5ALDH1A1GGPS1ECE1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210122774-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-04-29 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 (1 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-20210122774-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND L1CAM, NOM1, MSL1 ADK 4498/4885ALOX5 3368/4885PPARG 4007/4885

“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.