SCHEMBL22180771

SCHEMBL22180771

CC1(C)CC(C)(C)c2cc(Nc3ccc4c(c3)C(C)(C)CC4(C)C)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.41
RARG P13631 6/20 0.41
CYP26A1 O43174 5/20 0.41
RARA P10276 5/20 0.41
PGR P06401 4/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
BLVRB P30043 1/20 0.41
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP26B1 Q9NR63 3/20 0.37
HSPA9 P38646 2/20 0.34
THRB P10828 2/20 0.33

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
SCHEMBL22180634 0.87 RARB (0.53) RARBRARGCYP26A1RARAPGR
SCHEMBL23927544 0.84 CYP26A1 (0.35) RARBRARGCYP26A1RARAPGR
SCHEMBL24084855 0.82 RARB (0.49) RARBRARGCYP26A1RARAPGR
SCHEMBL23445204 0.80 RARB (0.44) RARBRARGCYP26A1RARAPGR
SCHEMBL23439405 0.80 CYP26A1 (0.42) RARBRARGCYP26A1RARAPGR
SCHEMBL23446838 0.79 RARB (0.47) RARBRARGCYP26A1RARAPGR
SCHEMBL10049013 0.76 RARB (0.37) RARBRARGCYP26A1RARAPGR
SCHEMBL23439364 0.76 RARB (0.44) RARBRARGCYP26A1RARAPGR
SCHEMBL24561554 0.75 RARB (0.43) RARBRARGCYP26A1RARAPGR
SCHEMBL31375685 0.75 RARB (0.51) RARBRARGCYP26A1RARAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230189646-A1 POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME SFC CO., LTD (KR) 2023-06-15 US disclosed
US-20230189646-A1 POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME SFC CO., LTD (KR) 2023-06-15 US disclosed
US-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-04-06 US disclosed
EP-4122937-A1 POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME SFC Co., Ltd. (KR) 2023-01-25 EP disclosed
US-20220017545-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2022-01-20 US disclosed
WO-2021122740-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-06-24 WO disclosed
WO-2020138963-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-07-02 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 (3 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-20230104248-A1 POLYCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC2, VDAC3, KCNC1 RARB 3043/4885RARG 2381/4885CYP26A1 3777/4885
US-20220017545-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, CRY2, PER2 RARB 722/4885RARG 560/4885CYP26A1 75/4885
US-20230189646-A1 POLYCYCLIC AROMATIC COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME DDC, DDT, AHR RARB 2329/4885RARG 1852/4885CYP26A1 3037/4885

“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.