SCHEMBL84106

SCHEMBL84106

CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.44
ALDH1A1 P00352 3/20 0.42
ESR1 P03372 1/20 0.42
CYP3A4 P08684 1/20 0.42
ESR2 Q92731 1/20 0.42
KCNN4 O15554 3/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL28996021 0.97 KIF11 (0.43) KIF11ALDH1A1ESR1CYP3A4ESR2
SCHEMBL12993225 0.88 KIF11 (0.56) KIF11ALDH1A1ESR1CYP3A4ESR2
SCHEMBL22952991 0.82 KIF11 (0.60) KIF11
SCHEMBL19059423 0.82 KIF11 (0.60) KIF11
SCHEMBL2319506 0.77 ALDH1A1 (0.42) KIF11ALDH1A1ESR1CYP3A4ESR2
SCHEMBL31090690 0.77 KIF11 (0.44) KIF11ALDH1A1KCNN4MAPK1TSHR
SCHEMBL34009 0.75 KIF11 (0.48) KIF11ALDH1A1KCNN4MAPK1TSHR
SCHEMBL7715769 0.75 KIF11 (0.48) KIF11ALDH1A1KCNN4MAPK1TSHR
SCHEMBL13457486 0.74 ALDH1A1 (0.46) ALDH1A1ESR1CYP3A4ESR2KCNN4
SCHEMBL17576267 0.74 ALDH1A1 (0.46) KIF11ALDH1A1ESR1CYP3A4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 CN claimed
CN-114685608-A Cyclic peptide compound containing trithioether bond or derivative thereof, and synthetic method and application thereof 北京大学深圳研究生院 2022-07-01 CN claimed
CN-114276411-A Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2022-04-05 CN claimed
CN-110128666-B Functionalized polyethyleneimine coated nano-gold particle composite material and preparation method thereof 南京工业大学 2021-09-28 CN claimed
US-20170204102-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT THE REPUBLIC OF KOREA (MANAGEMENT: RURAL DEVELOPMENT ADMINISTRATION) (KR) 2017-07-20 US claimed
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT REPUBLIC OF KOREA (RURAL DEVELOPMENT ADMINISTRATION) (KR) 2015-04-30 US claimed
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Kongju National University Industry- University Cooperation Foundation (KR) 2013-07-25 US claimed
EP-2594134-A2 AGRICULTURAL CHEMICAL CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT Republic of Korea (Management: Rural Development Administration) (KR) 2013-05-22 EP claimed
EP-0765307-B1 N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM IND CO LTD (KR) 1999-10-20 EP claimed
WO-1999029640-A2 COMPOSITIONS AND METHODS FOR MODULATING THE ACTIVITY OF FIBROBLAST GROWTH FACTOR EISAI CO., LTD. (JP) 1999-06-17 WO claimed
EP-0765307-A1 N ALPHA-2-(4-NITROPHENULSULFONYL)ETHOXYCARBONYL-AMINO ACIDS Hyundai Pharm. Ind. Co., Ltd. (KR) 1997-04-02 EP claimed
US-5616788-A FOR SOLID PHASE PEPTIDE SYNTHESIS HYUNDAI PHARM. IND. CO., LTD. (KR) 1997-04-01 US claimed
WO-1996025394-A1 Nα-2-(4-NITROPHENULSULFONYL)ETHOXYCARBONYL-AMINO ACIDS HYUNDAI PHARM. IND. CO., LTD. (KR) 1996-08-22 WO claimed
CN-114276411-B Solid phase synthesis method of cyclic peptide compound containing trithioether bond 北京大学深圳研究生院 2024-02-09 CN disclosed
US-11807612-B2 Heterocyclic compound and salt thereof, and luminescent substrate composition THE UNIVERSITY OF ELECTRO-COMMUNICATIONS (JP) 2023-11-07 US disclosed
CN-114685608-B Cyclic peptide compound containing trithiophene bond or derivative thereof, synthesis method and application thereof 北京大学深圳研究生院 2023-10-20 CN disclosed
US-4257947-A INTERMEDIATES FOR ANTIBACTERIAL CEPHALOSPORINS SMITHKLINE CORPORATION (US) 1981-03-24 US disclosed
US-4166816-A CYCLIZATION SMITHKLINE CORPORATION (US) 1979-09-04 US disclosed
US-4103086-A 8-Oxo-4-thia-1-azabicyclo (4.2.0)-oct-2-ene derivatives SMITHKLINE CORPORATION (US) 1978-07-25 US disclosed
US-4072674-A FOR CEPHALOSPORIN CONGENERS SMITHKLINE CORPORATION (US) 1978-02-07 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 (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-20170204102-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 KIF11 1543/4885ALDH1A1 3568/4885ESR1 4833/4885
US-20150119251-A1 AGRICULTURAL PLANT-PROTECTING AGENTS CONTAINING DIPEPTIDE DERIVATIVE AS ACTIVE INGREDIENT PEPD, DNPEP, DPP7 KIF11 4255/4885ALDH1A1 4580/4885ESR1 4764/4885
US-20130190177-A1 AGRICULTURAL AGENT CONTAINING 2,5-DIKETOPIPERAZINE DERIVATIVE AS ACTIVE INGREDIENT HDHD5, DAZAP1, MAPKAPK5 KIF11 1543/4885ALDH1A1 3568/4885ESR1 4833/4885
US-11807612-B2 Heterocyclic compound and salt thereof, and luminescent substrate composition RXFP4, NR2E3, ARRB1 KIF11 4733/4885ALDH1A1 2259/4885ESR1 1836/4885

“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.