SCHEMBL123899

SCHEMBL123899

C[CH]c1cc(OC)c(OC)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
KDM4E B2RXH2 4/20 0.74
MAPT P10636 2/20 0.74
CYP3A4 P08684 2/20 0.74
ALOX15 P16050 1/20 0.74
PRKDC P78527 1/20 0.74
HSD17B10 Q99714 1/20 0.74
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP19A1 P11511 1/20 0.47
PLIN1 O60240 1/20 0.45
PABPC1 P11940 1/20 0.45
PLIN5 Q00G26 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL3645767 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL211200 0.85 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL9838976 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL29800558 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL210330 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL7631563 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL10478004 0.81 MAPT (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL10478006 0.81 MAPT (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL7631569 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL7142512 0.80 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTCYP3A4ALOX15

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 377 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-20220403378-A1 LIGHT-INDUCIBLE CRISPR/CAS9 SYSTEM FOR GENOME EDITING THE JOHNS HOPKINS UNIVERSITY 2022-12-22 US claimed
WO-2021081469-A2 LIGHT-INDUCIBLE CRISPR/CAS9 SYSTEM FOR GENOME EDITING THE JOHNS HOPKINS UNIVERSITY (US) 2021-04-29 WO claimed
EP-3565484-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2019-11-13 EP claimed
WO-2018129369-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2018-07-12 WO claimed
US-20180185096-A1 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. 2018-07-05 US claimed
EP-3221328-A1 PHOTOBLOCKED PROBES AND METHODS FOR SEQUENTIAL DETECTION OF NUCLEIC ACIDS Roche Diagnostics GmbH (DE) 2017-09-27 EP claimed
US-9625448-B2 Double caged GABA compounds, bis-CNB-GABA THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-04-18 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
EP-0700378-B1 COMPOUNDS WHICH RELEASE NITRIC OXIDE UNIV CALIFORNIA (US) 2000-12-20 EP claimed
US-6020480-A Caged NADP and NAD THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-02-01 US claimed
US-5744101-A Photolabile nucleoside protecting groups AFFYMAX TECHNOLOGIES N.V. (GB) 1998-04-28 US claimed
US-5374710-A Compounds which release nitric oxide upon illumination REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-12-20 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 (2 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-11891668-B2 Methods for generating therapeutic delivery platforms EXOSC4, EXOSC5, EXOSC9 ALDH1A1 2893/4885KDM4E 806/4885MAPT 612/4885
US-20040122233-A1 Photopatternable molecular circuitry CDH1, VIM, CAT ALDH1A1 893/4885KDM4E 1531/4885MAPT 159/4885

“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.