Sugi Predict

Sugi Predict / Compounds / SCHEMBL9316472

SCHEMBL9316472

SCHEMBL9316472

CC(C)(c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ ESR1 P03372 4/20 0.60
▸ ESR2 Q92731 4/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.48
▸ NR3C2 P08235 3/20 0.47
▸ MAPK1 P28482 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AR P10275 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ ESRRG P62508 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CNR1 P21554 3/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL31497684 0.89 ESR1 (0.52) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL3953416 0.89 ESR1 (0.52) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL12701798 0.88 ALDH1A1 (0.48) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL7535051 0.87 ESR1 (0.75) ALDH1A1ESR1ESR2CYP3A4NR3C2
SCHEMBL14910456 0.84 ESR1 (0.70) ALDH1A1ESR1ESR2CYP3A4NR3C2
SCHEMBL35881 0.84 ESR1 (0.70) ALDH1A1ESR1ESR2CYP3A4NR3C2
SCHEMBL15165486 0.82 ALDH1A1 (0.48) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL23263378 0.81 ALDH1A1 (0.50) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL1128869 0.81 KMT2A (0.48) ALDH1A1ESR1ESR2CYP3A4TDP1
SCHEMBL12162926 0.80 ALDH1A1 (0.42) ALDH1A1ESR1ESR2CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113636945-B Compound and application thereof 北京鼎材科技有限公司 2024-07-09 — — CN disclosed
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 — — US disclosed
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-11-16 — — US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 — — US disclosed
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2023-08-17 — — 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
CN-113636945-A Compound and application thereof 北京鼎材科技有限公司 2021-11-12 — — CN disclosed
WO-2018133151-A1 COMPOUND USED AS BRUTON'S TYROSINE KINASE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF 成都倍特药业有限公司 2018-07-26 — — WO disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — US disclosed
US-20170342031-A1 QUENCHER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-30 — — US disclosed
EP-3235876-A1 QUENCHER Wako Pure Chemical Industries, Ltd. (JP) 2017-10-25 — — EP disclosed
WO-2016098889-A1 QUENCHER 和光純薬工業株式会社 2016-06-23 — — WO disclosed
US-5288848-A Reacting mono- and dihalogenated aromatics with alkali sulfide ; low corrosion during processing BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 — — US disclosed
US-5112851-A Agricultural Fungicides SANDOZ LTD. (CH) 1992-05-12 — — US disclosed
US-4939148-A Amine derivatives, processes for their production and their use SANDOZ, LTD. (CH) 1990-07-03 — — US disclosed
US-4760127-A Reacting dihalogen aromatics and alkali metal sulfide in presence of a monohalogen compound and a monomercapto compound BAYER AG (DE) 1988-07-26 — — US disclosed
EP-0214471-A1 Process for the preparation of high molecular weight polyarylene sulfides which can be reticulated BAYER AG (DE) 1987-03-18 — — EP 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 (4 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-20170342031-A1 QUENCHER AHR, GFER, AKR1A1 ALDH1A1 365/4885ESR1 307/4885ESR2 205/4885
US-20230200219-A1 A compound, an organic electroluminescent device and a display device L1CAM, VDAC2, CD274 ALDH1A1 125/4885ESR1 206/4885ESR2 199/4885
US-20230257383-A1 COMPOUND SERVING AS BTK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE1, WEE2 ALDH1A1 4238/4885ESR1 1966/4885ESR2 4539/4885
US-20230364079-A1 COMPOUND AS BRAIN-PERMEABLE BTK OR HER2 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF BTK, WEE2, WEE1 ALDH1A1 4697/4885ESR1 1539/4885ESR2 3411/4885

“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.