SCHEMBL431687

SCHEMBL431687

O=[N+]([O-])c1ccccc1COCOCOCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.55
HPGD P15428 1/20 0.51
MAOB P27338 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ACHE P22303 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL8539484 0.98 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL77922 0.90 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL12086376 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL38655942 0.84 ALDH1A1 (0.65) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL28385453 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3157228 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937015 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL2354939 0.84 ALDH1A1 (0.59) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL7027259 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL3937020 0.84 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230049294-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-02-16 US claimed
WO-2021216722-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2021-10-28 WO claimed
EP-3494996-B1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 158P1D7 PROTEINS AGENSYS INC (US) 2026-04-15 EP disclosed
US-12551499-B2 Highly active compounds against COVID-19 Atea Pharmaceuticals, Inc. (US) 2026-02-17 US disclosed
US-20260034234-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2026-02-05 US disclosed
US-20260000604-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-191P4D12 ANTIBODY DRUG CONJUGATES AND METHODS OF USE THEREOF AGENSYS, INC. (US) 2026-01-01 US disclosed
US-12496353-B2 Synergistic effects between auristatin-based antibody drug conjugates and inhibitors of the PI3K-AKT mTOR pathway SEAGEN INC. (US) 2025-12-16 US disclosed
EP-4604951-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF AMIRA THERAPEUTICS, S.L. (ES) 2025-08-27 EP disclosed
CN-113412268-B Modified nucleoside at 5' -position and nucleotide using the same 国立大学法人大阪大学 2025-06-17 CN disclosed
CN-113784721-B High activity compounds against COVID-19 阿堤亚制药公司 2025-06-13 CN disclosed
WO-2025095052-A1 CARBOCYCLIC NUCLEOSIDE-CONTAINING OLIGONUCLEOTIDE リードファーマ株式会社 2025-05-08 WO disclosed
WO-2008153278-A1 PHOSPHAZENE HYDROGELS WITH CHEMICAL CORSS -LINK, PREPARATION METHOD THEREOF AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-12-18 WO disclosed
EP-1957644-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2008-08-20 EP disclosed
EP-1896480-A1 CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS Bayer CropScience Aktiengesellschaft (DE) 2008-03-12 EP disclosed
WO-2008019784-A2 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 WO disclosed
WO-2006136309-A1 CRIPOWELLINS AND SYNTHETIC DERIVATIVES THEREOF USED AS MEDICAMENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
EP-1412346-B1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-03-09 EP disclosed
EP-1412346-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES Bayer CropScience AG (DE) 2004-04-28 EP disclosed
WO-2003010155-A1 METHOD FOR PRODUCING NOVEL SPINOSYN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-02-06 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 (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-12496353-B2 Synergistic effects between auristatin-based antibody drug conjugates and inhibitors of the PI3K-AKT mTOR pathway MTOR, RICTOR, PIK3R5 ALDH1A1 3563/4885TSHR 2706/4885HTT 2925/4885
US-20260000604-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-191P4D12 ANTIBODY DRUG CONJUGATES AND METHODS OF USE THEREOF CD44, CA12, H1-10 ALDH1A1 3280/4885TSHR 2385/4885HTT 1543/4885
US-12551499-B2 Highly active compounds against COVID-19 PNP, SLC29A2, MTAP ALDH1A1 1808/4885TSHR 3265/4885HTT 3318/4885
US-20230049294-A1 STEREOSELECTIVE PROCESS OF MANUFACTURE OF PURINE PHOSPHORAMIDATES NUDT1, PNP, ITPA ALDH1A1 1210/4885TSHR 3591/4885HTT 2034/4885
US-20260034234-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS IGSF11, ARID2, DYNLL2 ALDH1A1 1803/4885TSHR 3069/4885HTT 3963/4885

“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.