SCHEMBL23593238

SCHEMBL23593238

CC1(C)c2cccc(Cl)c2-c2oc3ccccc3c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMUR2 Q9GZQ4 1/20 0.38
AHR P35869 5/20 0.37
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
RET P07949 1/20 0.33
NTRK1 P04629 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
PTGS2 P35354 2/20 0.32
PDK2 Q15119 1/20 0.32
PTGS1 P23219 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
TTR P02766 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23592371 0.79 ADORA3 (0.37) NMUR2AHRADORA3ALDH1A1LMNA
SCHEMBL19887089 0.79 TDP1 (0.36) ALDH1A1LMNAHTTMEN1CYP2C19
SCHEMBL17367234 0.78 NTRK1 (0.39) NMUR2ALDH1A1LMNAHTTMEN1
SCHEMBL31656360 0.77 AHR (0.36) NMUR2AHRALDH1A1PDK2TTR
SCHEMBL18356956 0.77 PGR (0.40) NMUR2AHRMEN1CYP2C19KMT2A
SCHEMBL23592374 0.77 NMUR2 (0.45) NMUR2AHRADORA3ALDH1A1LMNA
SCHEMBL18356723 0.77 PGR (0.45) AHRALDH1A1LMNAMEN1CYP2C19
SCHEMBL31135768 0.77 PGR (0.45) AHRALDH1A1LMNAMEN1CYP2C19
SCHEMBL18506101 0.74 NQO1 (0.37) NMUR2AHRALDH1A1HTTMEN1
SCHEMBL23593240 0.74 AHR (0.45) NMUR2AHRADORA3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-06-22 US disclosed
US-20230048456-A1 ORGANIC LIGHT-EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER THEREOF LT MATERIALS CO., LTD. (KR) 2023-02-16 US disclosed
US-20230016632-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO.,LTD. (KR) 2023-01-19 US disclosed
WO-2021132995-A1 ORGANIC LIGHT-EMITTING ELEMENT AND COMPOSITION FOR ORGANIC MATERIAL LAYER THEREOF 엘티소재주식회사 2021-07-01 WO disclosed
WO-2021132930-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE 엘티소재주식회사 2021-07-01 WO 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-20230200208-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME CRY1, PPOX, ODC1 NMUR2 4485/4885AHR 2128/4885ADORA3 4861/4885
US-20230016632-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP1B1, CRY1 NMUR2 1329/4885AHR 31/4885ADORA3 3475/4885

“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.