SCHEMBL303088

SCHEMBL303088

[S]C1CCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
SHBG P04278 1/20 0.33
MGLL Q99685 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL105253 1.00
SCHEMBL304422 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL3617591 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL3627047 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL3624140 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL3619227 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL3622609 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL103931 1.00
SCHEMBL3618893 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10TP53CYP3A4SHBG
SCHEMBL78474 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302926-B Beta-diketone cerium (IV) compound and preparation and application thereof 湖北固润科技股份有限公司 2024-04-02 CN disclosed
WO-2024041569-A1 ACYLOXYPHOSPHINE OXIME ESTER COMPOUND SUITABLE FOR DEEP CURING OF UV-VIS LED LIGHT SOURCES, METHOD FOR PREPARING SAME, AND USE THEREOF 湖北固润科技股份有限公司 2024-02-29 WO disclosed
US-11718758-B2 Aqueous dispersion of colored particles MITSUBISHI PENCIL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
EP-3725854-B1 COLORED PARTICLE AQUEOUS DISPERSION MITSUBISHI PENCIL CO (JP) 2023-07-05 EP disclosed
CN-111465662-B Aqueous dispersion of coloured particles 三菱铅笔株式会社 2023-05-26 CN disclosed
CN-112094365-B Photocurable composition containing infrared absorbing photosensitizer, initiator and alkenyl ether and/or oxetane compound 湖北固润科技股份有限公司 2023-04-25 CN disclosed
CN-110563588-B Mono-or di-cinnamate photoinitiator, and preparation method and application thereof 湖北固润科技股份有限公司 2023-02-17 CN disclosed
CN-110563589-B Mono-or di-methyl cinnamate photoinitiator, and preparation method and application thereof 湖北固润科技股份有限公司 2023-02-03 CN disclosed
CN-115505004-A Acyl phosphine oxide oxime ester compound suitable for deep curing of UV-VIS LED light source and preparation and application thereof 湖北固润科技股份有限公司 2022-12-23 CN disclosed
WO-2021241484-A1 WRITING IMPLEMENT 三菱鉛筆株式会社 2021-12-02 WO disclosed
US-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2006-02-02 US disclosed
EP-1561741-A1 METHOD FOR DEUTERATION OR TRITIATION OF HETEROCYCLIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-08-10 EP disclosed
EP-1535889-A1 METHOD OF DEUTERATING AROMATIC RING Wako Pure Chemical Industries, Ltd. (JP) 2005-06-01 EP disclosed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP disclosed
US-6417175-B1 Phosphonocephem derivatives, process for the preparation of the same, and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO disclosed
EP-1043327-A1 PHOSPHONOCEPHEM DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP disclosed
US-5948774-A EXCELLENT ANTIBACTERIAL ACTIVITIES ON A BROAD RANGE OF GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA, ESPECIALLY STAPHYLOCOCCUS AUREUS AND METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS (MRSA) TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed
EP-0828744-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-03-18 EP disclosed
WO-1996038451-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-05 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 (1 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-20060025596-A1 Method for deuteration or tritiation of heterocyclic ring HRH2, HRH4, HDHD5 ALDH1A1 1829/4885HSD17B10 161/4885TP53 3400/4885

“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.