Sugi Predict

Sugi Predict / Compounds / SCHEMBL21889103

SCHEMBL21889103

SCHEMBL21889103

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(C#N)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.36
▸ KIF11 P52732 2/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ PGR P06401 2/20 0.33
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ AR P10275 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 3/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CCR9 P51686 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ CSNK1G2 P78368 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ DNMT1 P26358 3/20 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
SCHEMBL31059183 1.00 HTR1D (0.36) HTR1DKIF11DHODHPGRRORA
SCHEMBL30589481 0.98 HTR1D (0.37) HTR1DKIF11DHODHPGRRORA
SCHEMBL20278728 0.98 HTR1D (0.37) HTR1DKIF11DHODHPGRRORA
SCHEMBL30589482 0.98 HTR1D (0.37) HTR1DKIF11DHODHPGRRORA
SCHEMBL29419970 0.97 KIF11 (0.38) HTR1DKIF11DHODHPGRRORA
SCHEMBL21092975 0.97 KIF11 (0.38) HTR1DKIF11DHODHPGRRORA
SCHEMBL16127447 0.97 KIF11 (0.38) HTR1DKIF11DHODHPGRRORA
SCHEMBL29554758 0.95 HTR1D (0.37) HTR1DKIF11DHODHPGRRORA
SCHEMBL13921502 0.93 KIF11 (0.38) HTR1DKIF11DHODHPGRRORA
SCHEMBL21765767 0.91 KIF11 (0.39) HTR1DKIF11PGRRORARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024171769-A1 METHOD FOR PRODUCING ALKYLATED COMPOUND 国立大学法人 東京大学 2024-08-22 — — WO claimed
WO-2024171769-A1 METHOD FOR PRODUCING ALKYLATED COMPOUND 国立大学法人 東京大学 2024-08-22 — — WO disclosed
US-11895914-B2 Organic compound, organic light emitting diode and organic light emitting device including the organic compound LG DISPLAY CO., LTD. (KR) 2024-02-06 — — US disclosed
US-20230371364-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-16 — — US disclosed
US-20230329024-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 — — US disclosed
US-20230329022-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 — — US disclosed
US-20230225209-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS KUNSHAN GO-VISIONOX OPTO-ELECTRONICS CO., LTD (CN) 2023-07-13 — — US disclosed
EP-4207323-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS Kunshan Go-Visionox Opto-Electronics Co., Ltd. (CN) 2023-07-05 — — EP disclosed
US-20230157150-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-05-18 — — US disclosed
US-11584739-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-02-21 — — US disclosed
EP-3819953-B1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG DISPLAY CO LTD (KR) 2022-08-17 — — EP disclosed
US-20210143339-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG DISPLAY CO., LTD. (KR) 2021-05-13 — — US disclosed
EP-3819953-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND LG Display Co., Ltd. (KR) 2021-05-12 — — EP disclosed
WO-2020122451-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-06-18 — — WO disclosed
US-20200115364-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 — — US disclosed
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2016-08-18 — — 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 (6 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-20200115364-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA HTR1D 2039/4885KIF11 3226/4885DHODH 1048/4885
US-20210143339-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE ORGANIC COMPOUND OCIAD1, OCIAD2, ORC3 HTR1D 937/4885KIF11 1891/4885DHODH 128/4885
US-11584739-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA HTR1D 2039/4885KIF11 3226/4885DHODH 1048/4885
US-20160237043-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A HTR1D 3237/4885KIF11 3256/4885DHODH 1213/4885
US-20230157150-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME OCIAD1, EML4, OCIAD2 HTR1D 2641/4885KIF11 2142/4885DHODH 156/4885
US-11895914-B2 Organic compound, organic light emitting diode and organic light emitting device including the organic compound OCIAD1, OCIAD2, ORC3 HTR1D 937/4885KIF11 1891/4885DHODH 128/4885

“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.