SCHEMBL67999

SCHEMBL67999

O=[N+]([O-])[CH]c1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
MTOR P42345 1/20 0.71
VCP P55072 1/20 0.71
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 3/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
PTPN1 P18031 1/20 0.51
MAPT P10636 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 1/20 0.49
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.46
DYRK1A Q13627 1/20 0.46

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
SCHEMBL16211885 0.83 NPC1 (1.00) NPC1RAB9AMTORVCPALDH1A1
SCHEMBL30577771 0.83 NPC1 (1.00) NPC1RAB9AMTORVCPALDH1A1
SCHEMBL744717 0.83 NPC1 (1.00) NPC1RAB9AMTORVCPALDH1A1
SCHEMBL744716 0.83 NPC1 (1.00) NPC1RAB9AMTORVCPALDH1A1
Piperonal SCHEMBL6073053 0.78 NPC1 (0.88) NPC1RAB9AMTORVCPALDH1A1
Piperonal SCHEMBL6073058 0.78 NPC1 (0.88) NPC1RAB9AMTORVCPALDH1A1
SCHEMBL19097687 0.77 PTPN1 (0.71) NPC1RAB9AMTORVCPCYP3A4
SCHEMBL2113455 0.76 NPC1 (0.57) NPC1RAB9AMTORVCPALDH1A1
SCHEMBL1245813 0.76 NPC1 (0.57) NPC1RAB9AMTORVCPALDH1A1
SCHEMBL1245814 0.76 NPC1 (0.57) NPC1RAB9AMTORVCPALDH1A1

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 446 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
CN-117756773-A Preparation process of heliotropin 宿迁市万和泰化工有限公司 2024-03-26 CN disclosed
US-20240092799-A1 MNK INHIBITORS HEPAGENE THERAPEUTICS HK LTD (CN) 2024-03-21 US disclosed
EP-4271509-A1 MOLECULAR ARRAYS AND METHODS FOR GENERATING AND USING THE ARRAYS 10X Genomics, Inc. (US) 2023-11-08 EP disclosed
EP-4271510-A1 METHODS AND COMPOSITIONS FOR LIGHT-CONTROLLED SURFACE PATTERNING USING A POLYMER 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-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 (4 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 NPC1 1571/4885RAB9A 2549/4885MTOR 405/4885
US-12037414-B2 Processes for preparing pharmaceutically relevant peptides ADM2, VIP, PEPD NPC1 3742/4885RAB9A 2355/4885MTOR 3551/4885
US-20240158400-A1 SYNTHESIS OF A BRUTON'S TYROSINE KINASE INHIBITOR BTK, ABL1, LYN NPC1 4433/4885RAB9A 2436/4885MTOR 288/4885
US-20240108740-A1 THERAPEUTIC COMPOSITIONS INCLUDING SPN10 AND USES THEREOF S100A10, SPG11, TMSB10 NPC1 864/4885RAB9A 3833/4885MTOR 3826/4885

“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.