SCHEMBL374630

SCHEMBL374630

Clc1ccccc1[C](c1ccccc1)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
SMO Q99835 1/20 0.48
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TSHR P16473 3/20 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
SCHEMBL33952 0.95 ALDH1A1 (0.56) ALDH1A1CES2CES1SMOPOLB
SCHEMBL3138767 0.89 CES2 (0.54) ALDH1A1CES2CES1SMOPOLB
SCHEMBL4416667 0.84 CES2 (0.62) ALDH1A1CES2CES1POLBHPGD
SCHEMBL7863427 0.80 GSK3B (0.52) ALDH1A1CES2CES1SMOPOLB
SCHEMBL8797736 0.78 ALDH1A1 (0.54) ALDH1A1CES2CES1SMOPOLB
SCHEMBL5230539 0.78 ALDH1A1 (0.41) ALDH1A1HPGDNPC1GAAPKM
SCHEMBL29434816 0.76 KMT2A (0.65) ALDH1A1CES2CES1SMOPOLB
SCHEMBL20659154 0.76 ALDH1A1 (0.52) ALDH1A1CES2CES1SMOPOLB
SCHEMBL49873 0.76 KMT2A (0.65) ALDH1A1CES2CES1SMOPOLB
SCHEMBL5623439 0.75 ALDH1A1 (0.46) ALDH1A1CES2CES1GAAKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651875-B Oligopeptide-34 synthesis method 南京莱昂生物科技有限公司 2022-01-28 CN claimed
CN-113651875-A Oligopeptide-34 synthesis method 南京莱昂生物科技有限公司 2021-11-16 CN claimed
EP-3431490-B1 CHEMICAL COMPOUNDS FOR USE AS DIAGNOSTIC MARKERS OF INFLAMMATION AND NEOPLAMS, THE METHOD FOR SYNTHESIS OF THE CHEMICAL COMPOUNDS, DIAGNOSTIC KIT FOR USE IN DIAGNOSIS OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS AND IN VITRO DIAGNOSTIC METHOD OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS UNIV GDANSKI (PL) 2020-03-11 EP claimed
WO-2020017984-A1 CHEMICAL COMPOUNDS FOR USE AS DIAGNOSTIC MARKERS OF INFLAMMATION AND NEOPLASMS UNIWERSYTET GDANSKI (PL) 2020-01-23 WO claimed
CN-110551180-A Multifunctional implant with response effect and preparation method and application thereof UNIV SOUTH CHINA TECH 2019-12-10 CN claimed
EP-3431490-A1 CHEMICAL COMPOUNDS FOR USE AS DIAGNOSTIC MARKERS OF INFLAMMATION AND NEOPLAMS, THE METHOD FOR SYNTHESIS OF THE CHEMICAL COMPOUNDS, DIAGNOSTIC KIT FOR USE IN DIAGNOSIS OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS AND IN VITRO DIAGNOSTIC METHOD OF INFLAMMATORY PROCESSES AND EPITHELIAL NEOPLASMS Uniwersytet Gdanski (PL) 2019-01-23 EP claimed
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-07-18 US disclosed
US-20240199701-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-20 US disclosed
CN-118159549-A Immunomodulators 百时美施贵宝公司 2024-06-07 CN disclosed
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
WO-2024102752-A1 SMALL MOLECULE MODULATORS OF PAR2 AND USES THEREOF PARMEDICS, INC. (US) 2024-05-16 WO disclosed
US-11952379-B2 Small molecule modulators of PAR2 and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-04-09 US disclosed
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2024-04-02 US disclosed
EP-0932617-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMA (US) 2002-01-16 EP disclosed
EP-1136498-A1 Inhibitors of serine proteases, particularly hepatitis c virus NS3 protease Vertex Pharmaceuticals Incorporated (US) 2001-09-26 EP disclosed
US-6265380-B1 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED 2001-07-24 US disclosed
WO-2001046125-A2 CD45 INHIBITORS ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
EP-0932617-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE Vertex Pharmaceuticals Incorporated (US) 1999-08-04 EP disclosed
US-5922890-A TRITYL AMIDE OR ACID LINKERS FOR SOLID PHASE SYNTHESIS NOVARTIS AG (CH) 1999-07-13 US disclosed
WO-1998017679-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-30 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-20240199701-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ALDH1A1 3723/4885CES2 4877/4885CES1 4471/4885
US-11952379-B2 Small molecule modulators of PAR2 and uses thereof F2RL1, F2R, TBXA2R ALDH1A1 3448/4885CES2 2392/4885CES1 2454/4885
US-11945827-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR ALDH1A1 4678/4885CES2 4511/4885CES1 4263/4885
US-20240239810-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, MTOR, FKBP14 ALDH1A1 4631/4885CES2 4581/4885CES1 4416/4885

“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.