SCHEMBL580273

SCHEMBL580273

[CH2]c1ccc([N+](=O)[O-])c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
TPMT P51580 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
SCHEMBL8896929 0.85 TDP1 (0.44) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6284450 0.83 TDP1 (0.52) ALDH1A1TDP1L3MBTL1TSHRKMT2A
SCHEMBL8377814 0.78 ALDH1A1 (0.55) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL5678525 0.78 ALDH1A1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL8802940 0.78 ALDH1A1 (0.50) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL7737795 0.77 TDP1 (0.46) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL6599426 0.77 TPMT (0.50) ALDH1A1TDP1L3MBTL1TSHRTPMT
SCHEMBL13721530 0.77 TDP1 (0.57) ALDH1A1TDP1TSHRHTTKMT2A
SCHEMBL7989568 0.77 HTT (0.49) ALDH1A1TDP1TUBB4ATUBBTUBA3C
SCHEMBL29501004 0.77 ALDH1A1 (0.44) ALDH1A1TDP1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230032082-A1 SPATIAL BARCODING CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-02 US claimed
CN-115461469-A Spatial barcoding 癌症研究技术有限公司 2022-12-09 CN claimed
WO-2021116715-A1 SPATIAL BARCODING CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-17 WO claimed
US-20190284164-A1 Photocleavable Chemical Inducers of Dimerization (CID) and Methods of Use CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-09-19 US claimed
US-10053445-B2 Photocleavable chemical inducers of dimerization (CID) and methods of use CHILDREN'S MEDICAL CENTER CORPORATION (US) 2018-08-21 US claimed
US-20160272618-A1 PHOTOCLEAVABLE CHEMICAL INDUCERS OF DIMERIZATION (CID) AND METHODS OF USE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2016-09-22 US claimed
WO-2015061652-A1 PHOTOCLEAVABLE CHEMICAL INDUCERS OF DIMERIZATION (CID) AND METHODS OF USE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-04-30 WO claimed
WO-2023242560-A1 METHODS FOR SPATIAL GENOMIC, EPIGENOMIC AND MULTI-OMIC PROFILING USING TRANSPOSASES AND LIGHT-ACTIVATED SPATIAL BARCODING CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-12-21 WO disclosed
US-20230373962-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER THE UNIVERSITY OF BIRMINGHAM (GB) 2023-11-23 US disclosed
US-20230032082-A1 SPATIAL BARCODING CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-02 US disclosed
CN-115461469-A Spatial barcoding 癌症研究技术有限公司 2022-12-09 CN disclosed
WO-2021116715-A1 SPATIAL BARCODING CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-17 WO disclosed
US-10980883-B2 Triplet fusion upconversion for infrared-sensitized photoredox chemistry THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-04-20 US disclosed
US-20080188645-A1 Synthesis of Nitrodibenzylfuran Chromophore For Photodeprotection of Organic Molecules PHILADELPHIA HEALTH & EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2008-08-07 US disclosed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US disclosed
US-20060240088-A1 Caged ligands and uses thereof ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2006-10-26 US disclosed
WO-2006110804-A2 SYNTHESIS OF NITRODIBENZYLFURAN CHROMOPHORE FOR PHOTODEPROTECTION OF ORGANIC MOLECULES PHILADELPHIA HEALTH & EDUCATION CORPORATION D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICINE (US) 2006-10-19 WO disclosed
WO-2004037983-A2 CAGED LIGANDS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2004-05-06 WO disclosed
US-4269773-A CEPHALOSPORINS SHIONOGI & CO., LTD. (JP) 1981-05-26 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 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-10980883-B2 Triplet fusion upconversion for infrared-sensitized photoredox chemistry PCBP1, PPOX, PTBP1 ALDH1A1 1264/4885TDP1 144/4885TUBB4A 1566/4885
US-10053445-B2 Photocleavable chemical inducers of dimerization (CID) and methods of use BID, CRYAB, CRY2 ALDH1A1 3578/4885TDP1 2743/4885TUBB4A 1554/4885
US-20190284164-A1 Photocleavable Chemical Inducers of Dimerization (CID) and Methods of Use BID, CRYAB, CRY2 ALDH1A1 3578/4885TDP1 2743/4885TUBB4A 1554/4885
US-20230373962-A1 SUPRAMOLECULAR MOLECULES FOR THE TREATMENT OF CANCER PCNA, DDX1, DDX18 ALDH1A1 4454/4885TDP1 4223/4885TUBB4A 1001/4885
US-20160272618-A1 PHOTOCLEAVABLE CHEMICAL INDUCERS OF DIMERIZATION (CID) AND METHODS OF USE BID, CRYAB, CRY2 ALDH1A1 3578/4885TDP1 2743/4885TUBB4A 1554/4885
US-20080188645-A1 Synthesis of Nitrodibenzylfuran Chromophore For Photodeprotection of Organic Molecules SARAF, NCF1, NCS1 ALDH1A1 3203/4885TDP1 2218/4885TUBB4A 605/4885

“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.