SCHEMBL3083376

SCHEMBL3083376

Brc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.50
CYP2A6 P11509 1/20 0.44
KIF11 P52732 1/20 0.41
TSHR P16473 2/20 0.39
KCNN4 O15554 2/20 0.39
HTR2A P28223 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL3956177 1.00 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1CYP2A6KIF11
SCHEMBL17941356 1.00 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1CYP2A6KIF11
SCHEMBL24871316 0.89 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1KIF11TSHR
SCHEMBL16509905 0.89 ALDH1A1 (0.56) ALDH1A1TDP1MAPK1KIF11TSHR
SCHEMBL440244 0.88 CYP2A6 (0.57) ALDH1A1TDP1MAPK1CYP2A6TSHR
SCHEMBL28912876 0.88 CYP2A6 (0.57) ALDH1A1TDP1MAPK1CYP2A6TSHR
SCHEMBL17948170 0.87 ALDH1A1 (0.71) ALDH1A1TDP1MAPK1CYP2A6KIF11
SCHEMBL9846771 0.85 KCNN4 (0.50) ALDH1A1MAPK1KIF11TSHRKCNN4
SCHEMBL230628 0.82 KCNN4 (0.53) ALDH1A1MAPK1TSHRKCNN4ESR1
SCHEMBL7756315 0.80 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1KIF11TSHR

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-12-10 US disclosed
US-11903311-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-02-13 US disclosed
US-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
US-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
US-20230200219-A1 A compound, an organic electroluminescent device and a display device BEIJING ETERNAL MATERIAL TECHNOLOGY CO., LTD (CN) 2023-06-22 US disclosed
US-20220336757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2022-10-20 US disclosed
CN-113764594-A Heterocyclic compound and organic light-emitting device including the same 三星显示有限公司 2021-12-07 CN disclosed
CN-113636945-A Compound and application thereof 北京鼎材科技有限公司 2021-11-12 CN disclosed
EP-3480194-B1 HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICES USING SAME LG CHEMICAL LTD (KR) 2021-09-08 EP disclosed
EP-3480194-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG Chem, Ltd. (KR) 2019-05-08 EP disclosed
US-20090227812-A1 TETRAPHENYLMETHANE SKELETON-CONTAINING COMPOUND FUJIFILM CORPORATION (JP) 2009-09-10 US disclosed
US-20090227812-A1 TETRAPHENYLMETHANE SKELETON-CONTAINING COMPOUND FUJIFILM CORPORATION (JP) 2009-09-10 US disclosed
US-20090227812-A1 TETRAPHENYLMETHANE SKELETON-CONTAINING COMPOUND FUJIFILM CORPORATION (JP) 2009-09-10 US disclosed
CN-101115717-A Substituted bis aryl and heteroaryl compounds as selective 5ht2a antagonists AVENTIS PHARMA INC (US) 2008-01-30 CN disclosed
CN-101006092-A Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and therapeutic agents using the same PFIZER (US) 2007-07-25 CN disclosed
CN-1989115-A * azole derivatives as histamine H3 receptor agents, their preparation and therapeutic use LILLY CO ELI (US) 2007-06-27 CN disclosed
CN-1867554-A Piperazine with ortho-substituted phenyl and its use as GLYT1 inhibitors HOFFMANN LA ROCHE (CH) 2006-11-22 CN disclosed
CN-1668303-A Selective estrogen receptor modulators containing phenylsulfonyl groups LILLY CO ELI (US) 2005-09-14 CN disclosed
CN-1042539-C 11,21-bisphenyl-19-norpregnane derivatives AKZO NOBEL NV (NL) 1999-03-17 CN disclosed
CN-1126727-A 11,21-bisphenyl-19-norpregnane derivatives AKZO NOBEL NV (NL) 1996-07-17 CN 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-20230200219-A1 A compound, an organic electroluminescent device and a display device L1CAM, VDAC2, CD274 ALDH1A1 125/4885TDP1 2385/4885MAPK1 1204/4885
US-11903311-B2 Heterocyclic compound and organic light emitting device comprising the same CYP1A1, CYP1B1, CHRM1 ALDH1A1 173/4885TDP1 2595/4885MAPK1 252/4885
US-20090227812-A1 TETRAPHENYLMETHANE SKELETON-CONTAINING COMPOUND PAH, TSNAX, ZFX ALDH1A1 4467/4885TDP1 2743/4885MAPK1 1101/4885
US-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same C1S, ARRB1, CRY1 ALDH1A1 321/4885TDP1 3454/4885MAPK1 916/4885
US-20220336757-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME C1S, CNR1, ARRB1 ALDH1A1 306/4885TDP1 3336/4885MAPK1 979/4885

“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.