SCHEMBL124590

SCHEMBL124590

CCc1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP2D6 P10635 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
PRKDC P78527 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL3645769 0.89 ALDH1A1 (0.59) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL13252228 0.87 ALDH1A1 (0.51) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL16687494 0.87 ALDH1A1 (0.51) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL4043187 0.87 ALDH1A1 (0.57) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL27173131 0.87 ALDH1A1 (0.54) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL40798 0.85 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL66837 0.85 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL5058658 0.85 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL1261460 0.85 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A
SCHEMBL12978933 0.85 ALDH1A1 (0.56) ALDH1A1CYP2D6L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP claimed
EP-3565484-B1 COMPOSITIONS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS CONTRALINE INC (US) 2024-04-03 EP claimed
US-11891668-B2 Methods for generating therapeutic delivery platforms THE UNIVERSITY OF KANSAS (US) 2024-02-06 US claimed
US-20180185096-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. 2018-07-05 US claimed
US-20160138092-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS ROCHE MOLECULAR SYSTEMS, INC. 2016-05-19 US claimed
US-20100075297-A1 PHOTOSENSITIVE POLYPEPTIDE AND METHODS OF THEIR PRODUCTION AND USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-03-25 US claimed
US-7544736-B2 Methods of preparing latex particulates with reactive functional groups HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-06-09 US claimed
US-7291514-B2 Bottom electrode chemically-bonded Langmuir-Blodgett films via photolabile groups HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-11-06 US claimed
US-7175961-B2 Photopatternable molecular circuitry HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-02-13 US claimed
US-7144683-B2 Photopatternable molecular circuitry HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-12-05 US claimed
US-6995206-B2 Methods of preparing latex particulates with reactive functional groups HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-02-07 US claimed
WO-2005087798-A1 D-SER!8-CYCLOSPORINE MODIFIED ON THE HYDROXYL GROUP HAVING A SWITCHABLE INHIBITING EFFECT ON PROTEIN PHOSPHATASE CALCINEURINE AND SPECIFIC MANIPULIPULATABILITY OBTAINED THEREWITH OF THE IMMUNOSUPPRESSIVE EFFECT WHILE MAINTAINING INHIBITION OF PEPTIDYL-PROLYL-CIS-TRANS-ISOMERASE (PPI) E.G. FOR THE TREATMENT OF AUTOIMMUNE D MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-09-22 WO claimed
US-20050194526-A1 Bottom electrode chemically-bonded Langmuir-Blodgett films via photolabile groups HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2005-09-08 US claimed
US-20050027065-A1 Methods and preparing latex particulates with reactive functional groups HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2005-02-03 US claimed
EP-1502929-A1 Methods of preparing latex particulates with reactive functional groups Hewlett-Packard Development Company, L.P. (US) 2005-02-02 EP claimed
US-20040122233-A1 Photopatternable molecular circuitry BECK PATRICIA A (US) 2004-06-24 US claimed
US-20030194630-A1 Photopatternable molecular circuitry HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2003-10-16 US claimed
US-20010046676-A1 Integrated sequencing device BBI BIOSEQ, INC., MASSACHUSETTS CORPORATION 2001-11-29 US claimed
US-6245506-B1 IMMOBILIZING BIOPOLYMER ON SOLID SUPPORT IN REACTION VESSEL, MIXING WITH ION DEPENDENT ENZYME AND PRESSURE SENSITIVE BUFFER, ALTERING PRESSURE IN THE VESSEL TO ALLOW REACTION TO OCCUR, DETERMINING IDENTITY OF DISSOCIATED TERMINAL MONOMER BBI BIOSEQ, INC. 2001-06-12 US claimed
US-6020480-A Caged NADP and NAD THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100075297-A1 PHOTOSENSITIVE POLYPEPTIDE AND METHODS OF THEIR PRODUCTION AND USE NPEPPS, DNPEP, ANPEP ALDH1A1 3439/4885CYP2D6 3352/4885L3MBTL1 3218/4885
US-11891668-B2 Methods for generating therapeutic delivery platforms EXOSC4, EXOSC5, EXOSC9 ALDH1A1 2893/4885CYP2D6 4496/4885L3MBTL1 888/4885
US-20040122233-A1 Photopatternable molecular circuitry CDH1, VIM, CAT ALDH1A1 893/4885CYP2D6 3591/4885L3MBTL1 3553/4885

“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.