SCHEMBL442587

SCHEMBL442587

O=COB(OC=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.40
ORAI2 Q96SN7 2/20 0.40
ORAI3 Q9BRQ5 2/20 0.40
TRPV6 Q9H1D0 2/20 0.40
LMNA P02545 4/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 2/20 0.38
THRB P10828 2/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 9/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
ENPP2 Q13822 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL28230966 0.87 ORAI1 (0.34) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL28243261 0.87 ORAI1 (0.39) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL28346862 0.87 CA4 (0.36) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL13476067 0.80 ORAI1 (0.52) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL442588 0.76 TRPV6 (0.44) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL3955823 0.75 ORAI1 (0.40) ORAI1ORAI2ORAI3TRPV6KMT2A
SCHEMBL28781826 0.74
SCHEMBL8303050 0.71 ORAI1 (0.37) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL3734405 0.70 ALDH1A1 (0.36) ORAI1ORAI2ORAI3TRPV6LMNA
SCHEMBL3894047 0.65 ADH1B (0.39) LMNAKMT2ATDP1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026042111-A1 TEMPERATURE- AND PH-SENSITIVE, BPA-TARGETED, CHITOSAN–POLY(N-ISOPROPYLACRYLAMIDE)–FPBA CORE-SHELL POLYMERIC NANOPARTICLES CAPABLE OF FORMING COF STRUCTURES FOR USE IN THE BNCT THERAPEUTIC METHOD. SOLEIMANBEIGI MONIREH (IR) 2026-02-26 WO claimed
CN-118388783-A Molecularly imprinted covalent organic framework composite material based on acid-induced color, preparation method and application thereof 浙江树人学院 2024-07-26 CN claimed
US-10435418-B2 Rapid and efficient bioorthogonal ligation reaction and boron-containing heterocycles useful in conjunction therewith The Research Foundation for the State University o (US) 2019-10-08 US claimed
US-20180065993-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2018-03-08 US claimed
US-9758533-B2 Rapid and efficient bioorthogonal ligation reaction and boron-containing heterocycles useful in conjunction therewith THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-09-12 US claimed
EP-3134418-A1 A RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUCTION THEREWITH The Research Foundation for The State University of New York (US) 2017-03-01 EP claimed
US-20150329568-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-19 US claimed
WO-2015164213-A1 A RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUCTION THEREWITH THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-10-29 WO claimed
EP-4634219-A1 HIGH STRENGTH LIQUID PROTEASE FORMULATIONS Novozymes A/S (DK) 2025-10-22 EP disclosed
CN-119241850-A High-toughness heat-resistant self-repairing organic silicon elastomer material and preparation method thereof 杭州师范大学 2025-01-03 CN disclosed
CN-118388783-A Molecularly imprinted covalent organic framework composite material based on acid-induced color, preparation method and application thereof 浙江树人学院 2024-07-26 CN disclosed
WO-2024126697-A1 HIGH STRENGTH LIQUID PROTEASE FORMULATIONS NOVOZYMES A/S (DK) 2024-06-20 WO disclosed
CN-117771449-A Self-repairable composite anti-adhesion material, and preparation method and application thereof 烟台先进材料与绿色制造山东省实验室 2024-03-29 CN disclosed
CN-112206219-B Preparation and application of glucose-sensitive insulin delivery system 沈阳药科大学 2022-09-23 CN disclosed
WO-2004056315-A2 COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-08 WO disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 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 (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-20180065993-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH BLVRB, BTD, BCAT1 ORAI1 3309/4885ORAI2 3920/4885ORAI3 3534/4885
US-10435418-B2 Rapid and efficient bioorthogonal ligation reaction and boron-containing heterocycles useful in conjunction therewith BLVRB, BTD, BCAT1 ORAI1 3309/4885ORAI2 3920/4885ORAI3 3534/4885
US-20150329568-A1 RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH BLVRB, BCAT1, BCAT2 ORAI1 3176/4885ORAI2 4179/4885ORAI3 3744/4885

“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.