SCHEMBL4697641

SCHEMBL4697641

C=C(Cc1ccccc1Cl)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.54
ALDH1A1 P00352 9/20 0.48
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.44
SHBG P04278 1/20 0.43
CTBP2 P56545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
GPR35 Q9HC97 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29665250 1.00 CASP1 (0.54) CASP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7644966 0.84 ALDH1A1 (0.49) CASP1ALDH1A1MAPTSHBGCTBP2
SCHEMBL7642355 0.84 ALDH1A1 (0.50) CASP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL27953552 0.83 AKR1B1 (0.50) CASP1ALDH1A1MAPTGAAMEN1
SCHEMBL11209505 0.82 CASP1 (0.49) CASP1ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL25397941 0.81 ALDH1A1 (0.48) CASP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL513530 0.80 PKM (0.53) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16672715 0.80 L3MBTL1 (0.49) CASP1ALDH1A1MAPTKDM4ELMNA
SCHEMBL16672831 0.80 KMT2A (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL27166994 0.80 NPC1 (0.42) SHBGCTBP2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4398930-A1 IMMUNOMODULATORY COMBINATIONS OF ANTIGEN AND DRUG-LIPID CONJUGATE Integrated Nanotherapeutics Inc. (CA) 2024-07-17 EP claimed
CN-118215496-A Immunomodulatory combinations of antigens and drug-lipid conjugates 集成纳米治疗股份有限公司 2024-06-18 CN claimed
WO-2023035068-A1 IMMUNOMODULATORY COMBINATIONS OF ANTIGEN AND DRUG-LIPID CONJUGATE INTEGRATED NANOTHERAPEUTICS INC. (CA) 2023-03-16 WO claimed
US-12570675-B2 Boronic acid compounds LG CHEM, LTD. (KR) 2026-03-10 US disclosed
US-12459908-B2 Alpha, beta unsaturated methacrylic esters with anti-inflammatory properties SITRYX THERAPEUTICS LIMITED (GB) 2025-11-04 US disclosed
US-20240252477-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF UNIVERSITA' DEGLI STUDI DI TORINO (60%) (IT) 2024-08-01 US disclosed
EP-4398930-A1 IMMUNOMODULATORY COMBINATIONS OF ANTIGEN AND DRUG-LIPID CONJUGATE Integrated Nanotherapeutics Inc. (CA) 2024-07-17 EP disclosed
CN-118215496-A Immunomodulatory combinations of antigens and drug-lipid conjugates 集成纳米治疗股份有限公司 2024-06-18 CN disclosed
US-20240101579-A1 BORONIC ACID COMPOUNDS LG CHEM, LTD. (KR) 2024-03-28 US disclosed
EP-4334287-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF Università Degli Studi Di Torino (IT) 2024-03-13 EP disclosed
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2024-01-18 US disclosed
WO-2006134485-A1 ALPHA-(ARYL-OR HETEROARYL-METHYL)-BETA-PIPERIDINOPROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-21 WO disclosed
EP-1732928-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-12-20 EP disclosed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists PFIZER JAPAN INC. (JP) 2005-12-15 US disclosed
WO-2005092895-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANOIC ACID COMPOUNDS AS ORL1-RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed
US-4824868-A 2-BENZYL-3-SUBSTITUTED-PHENOXYPROPYLAMINES, SEROTONIN UPTAKE INHIBITORS CIBA-GEIGY CORPORATION (US) 1989-04-25 US disclosed
US-4692469-A 2-BENZYL-3-(SUBSTITUTED)-PHENOXYPROPYLAMINES; APPETITE SUPRESSANTS CIBA-GEIGY CORPORATION (US) 1987-09-08 US disclosed
US-4588746-A Propylamine derivatives CIBA-GEIGY CORPORATION (US) 1986-05-13 US 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 (6 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-12570675-B2 Boronic acid compounds PSMB6, PSMB3, PSMB2 CASP1 1367/4885ALDH1A1 3621/4885MAPT 3120/4885
US-12459908-B2 Alpha, beta unsaturated methacrylic esters with anti-inflammatory properties PTGS1, PTGER1, PTGES2 CASP1 83/4885ALDH1A1 24/4885MAPT 4043/4885
US-20240252477-A1 NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF NLRP3, PYCARD, NLRP1 CASP1 4/4885ALDH1A1 1873/4885MAPT 990/4885
US-20050277659-A1 Alpha aryl or heteroaryl methyl beta piperidino propanoic acid compounds as ORL1-receptor antagonists OPRL1, OGFRL1, ORMDL3 CASP1 1686/4885ALDH1A1 153/4885MAPT 3248/4885
US-20240101579-A1 BORONIC ACID COMPOUNDS PSMB11, PSMB1, BACH1 CASP1 349/4885ALDH1A1 2005/4885MAPT 685/4885
US-20240018111-A1 ALPHA, BETA UNSATURATED METHACRYLIC ESTERS WITH ANTI-INFLAMMATORY PROPERTIES PTGS1, PTGER1, PTGES2 CASP1 83/4885ALDH1A1 24/4885MAPT 4043/4885

“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.