SCHEMBL67998

SCHEMBL67998

[CH2]c1ccc2c(c1)OC([N+](=O)[O-])O2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 8/20 0.33
TMEM97 Q5BJF2 1/20 0.33
DRD5 P21918 2/20 0.32
ADRA2A P08913 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD3 P35462 1/20 0.32
CHRNB4 P30926 4/20 0.31
CHRNA3 P32297 4/20 0.31

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
SCHEMBL31711236 0.74 P2RY6 (0.41) P2RY6
SCHEMBL3200612 0.74 P2RY6 (0.41) P2RY6
SCHEMBL472055 0.73 NPC1 (0.37) P2RY6TMEM97DRD5ADRA2ASIGMAR1
SCHEMBL9392813 0.73 P2RY6 (0.41) P2RY6DRD5
SCHEMBL11296635 0.71
SCHEMBL9118213 0.71 CYP1A2 (0.31)
SCHEMBL5552767 0.68 MAPT (0.42)
SCHEMBL9562071 0.66 RAB9A (0.35) P2RY6DRD5ADRA2A
SCHEMBL1428264 0.66 CYP1A2 (0.36)
SCHEMBL4624307 0.65 MAPT (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242974-A Polymer formation on substrate with tether molecule, unmasking of protective group to form cyclic polymer, bond clevage AFFYMAX TECHNOLOGIES N.V. (NL) 1993-09-07 US claimed
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides STEALTH BIOTHERAPEUTICS INC. (US) 2024-07-16 US disclosed
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR PHARMACYCLICS LLC (US) 2024-05-16 US disclosed
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF STEALTH BIOTHERAPEUTICS INC. (US) 2024-04-04 US disclosed
US-20240092799-A1 MNK INHIBITORS HEPAGENE THERAPEUTICS HK LTD (CN) 2024-03-21 US disclosed
EP-4271510-A1 METHODS AND COMPOSITIONS FOR LIGHT-CONTROLLED SURFACE PATTERNING USING A POLYMER 10X Genomics, Inc. (US) 2023-11-08 EP disclosed
EP-4271509-A1 MOLECULAR ARRAYS AND METHODS FOR GENERATING AND USING THE ARRAYS 10X Genomics, Inc. (US) 2023-11-08 EP disclosed
CN-116794200-A Detection method of piperonal related substances 宜昌天仁药业有限责任公司 2023-09-22 CN disclosed
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed
US-11708374-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors Worg Pharmaceuticals (Zhejiang) Co., Ltd. (CN) 2023-07-25 US disclosed
US-5359115-A Reacting phosphonic monoester with dialkylazodicarboxylate, triphenylphosphine and secondary alcohol to form diester, hydrolyzing selective ester to form monoester, coupling an aminoacid to yield peptidylphosphonate AFFYMAX TECHNOLOGIES, N.V. (US) 1994-10-25 US disclosed
WO-1994010128-A1 NOVEL PHOTOREACTIVE PROTECTING GROUPS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-05-11 WO disclosed
WO-1994006808-A1 METHODS FOR THE SYNTHESIS OF PHOSPHONATE ESTERS AFFYMAX TECHNOLOGIES N.V. (AN) 1994-03-31 WO disclosed
WO-1994006291-A1 SOLID PHASE AND COMBINATORIAL SYNTHESIS OF COMPOUNDS ON A SOLID SUPPORT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO disclosed
EP-0562025-A4 1994-03-30 EP disclosed
US-5288514-A Linking a protected 2-aminobenzophenone to a substrate; deprotecting and reacting with an amino acid; cyclization; removal from substrate; screening THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-02-22 US disclosed
EP-0562025-A1 VERY LARGE SCALE IMMOBILIZED POLYMER SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (AN) 1993-09-29 EP disclosed
US-5242974-A Polymer formation on substrate with tether molecule, unmasking of protective group to form cyclic polymer, bond clevage AFFYMAX TECHNOLOGIES N.V. (NL) 1993-09-07 US disclosed
WO-1993010161-A1 POLYMER REVERSAL ON SOLID SURFACES AFFYMAX TECHNOLOGIES N.V. (AN) 1993-05-27 WO disclosed
WO-1992010092-A1 VERY LARGE SCALE IMMOBILIZED POLYMER SYNTHESIS AFFYMAX TECHNOLOGIES N.V. (AN) 1992-06-25 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-20240092799-A1 MNK INHIBITORS MKNK1, MATK, NEK1 P2RY6 4096/4885TMEM97 3827/4885DRD5 4842/4885
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides ADM2, VIP, PEPD P2RY6 1070/4885TMEM97 4174/4885DRD5 734/4885
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN P2RY6 2538/4885TMEM97 3369/4885DRD5 4131/4885
US-11708374-B2 Preparation of condensed triazepine derivatives and their use as BET inhibitors BET1, EP300, BICRA P2RY6 3652/4885TMEM97 4016/4885DRD5 2308/4885
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF S100A10, SPG11, TMSB10 P2RY6 4016/4885TMEM97 4449/4885DRD5 4219/4885

“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.