SCHEMBL422733

SCHEMBL422733

FN(F)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
AOC3 Q16853 1/20 0.50
CALM1 P0DP23 1/20 0.45
CA2 P00918 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CYP2C19 P33261 1/20 0.43
MGLL Q99685 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 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
Methyl Alcohol SCHEMBL28671424 0.92 ALDH1A1 (0.54) ALDH1A1TSHRAOC3CA2KDM4E
SCHEMBL1376791 0.84 HRH3 (0.41) ALDH1A1TSHRAOC3PYCR1IDO1
SCHEMBL7814373 0.82 ALDH1A1 (0.55) ALDH1A1TSHRAOC3CALM1CA2
SCHEMBL4079504 0.80 ALDH1A1 (0.67) ALDH1A1TSHRAOC3CA2KDM4E
Hydrochloric Acid SCHEMBL28417225 0.78 ALDH1A1 (0.50) ALDH1A1TSHRAOC3CA2SMN1; SMN2
SCHEMBL28274495 0.78 AOC3 (0.58) ALDH1A1TSHRAOC3CALM1CA2
SCHEMBL423416 0.78 ALDH1A1 (0.50) ALDH1A1TSHRAOC3CALM1CA2
Hydrochloric Acid SCHEMBL27259243 0.78 ALDH1A1 (0.64) ALDH1A1TSHRAOC3CA2KDM4E
SCHEMBL81123 0.78 ALDH1A1 (0.45) ALDH1A1TSHRAOC3CA2KDM4E
SCHEMBL28028861 0.78 TSHR (0.50) ALDH1A1TSHRAOC3CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12337036-B2 Compounds and methods for trans-membrane delivery of molecules APOSENSE LTD (IL) 2025-06-24 US claimed
CN-114369070-B Preparation process of rufinamide 海南医学院 2023-04-14 CN claimed
CN-114369070-A Preparation process of rufinamide 海南医学院 2022-04-19 CN claimed
CN-215440287-U Post-treatment device for difluorobenzylamine and trifluorobenzylamine 弈柯莱(台州)药业有限公司 2022-01-07 CN claimed
US-20210052736-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD (IL) 2021-02-25 US claimed
EP-3735276-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES Aposense Ltd. (IL) 2020-11-11 EP claimed
CN-111615404-A Compounds and methods for transmembrane delivery of molecules 艾博森斯有限公司 2020-09-01 CN claimed
EP-3089969-A2 INHIBITORS OF 17BETA-HYDROXYSTEROID DEHYDROGENASES TYPE 1 AND TYPE 2 Elexopharm GmbH (DE) 2016-11-09 EP claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
US-12337036-B2 Compounds and methods for trans-membrane delivery of molecules APOSENSE LTD (IL) 2025-06-24 US disclosed
EP-4526303-A1 N6-ADENOSINE-METHYLTRANSFERASE PROTACS AND METHODS OF USE THEREOF University of Zurich (CH) 2025-03-26 EP disclosed
CN-117327091-A Synthesis method of Rayleigh Lu Geli 浙江天宇药业股份有限公司 2024-01-02 CN disclosed
WO-2023222762-A1 N6-ADENOSINE-METHYLTRANSFERASE PROTACS AND METHODS OF USE THEREOF UNIVERSITY OF ZURICH (CH) 2023-11-23 WO disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed
EP-0427445-A1 Benzylideneaminoxyalkanoic acid (thio) amide derivative, process for preparing the same and herbicide UBE INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed
US-4728646-A ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1988-03-01 US disclosed
US-4690923-A ANTITHROMBOTICS KARL THOMAE GMBH (DE) 1987-09-01 US disclosed
US-4518596-A Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines DR. KARL THOMAE GMBH (DE) 1985-05-21 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 (2 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-12337036-B2 Compounds and methods for trans-membrane delivery of molecules LDLR, NPC1L1, ABCB4 ALDH1A1 1573/4885TSHR 2243/4885AOC3 3880/4885
US-20210052736-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES LDLR, NPC1L1, ABCB4 ALDH1A1 1573/4885TSHR 2243/4885AOC3 3880/4885

“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.