SCHEMBL8871441

SCHEMBL8871441

OCCc1ccccc1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.63
TDP1 Q9NUW8 1/20 0.58
BCL2 P10415 1/20 0.50
BCL2L1 Q07817 1/20 0.50
CALM1 P0DP23 1/20 0.48
TSHR P16473 2/20 0.44
ALOX5 P09917 1/20 0.44
KEAP1 Q14145 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL30148126 1.00 HTR2A (0.63) HTR2ATDP1BCL2BCL2L1CALM1
SCHEMBL24244161 0.84 TDP1 (0.68) HTR2ATDP1TSHRKEAP1HPGD
SCHEMBL26987950 0.84 HTR2A (0.46) HTR2ATDP1BCL2BCL2L1TSHR
SCHEMBL972711 0.83 CALM1 (0.69) HTR2ABCL2BCL2L1CALM1ALOX5
SCHEMBL29534868 0.83 TDP1 (0.55) HTR2ATDP1TSHRHIF1A
SCHEMBL31203 0.83 TDP1 (0.55) HTR2ATDP1TSHRHIF1A
SCHEMBL16499740 0.82 TDP1 (0.65) HTR2ATDP1TSHRHPGDALOX15
SCHEMBL1773099 0.81 HTR2A (0.56) HTR2ATDP1BCL2BCL2L1CALM1
SCHEMBL2996327 0.81 HTR2A (0.68) HTR2ATDP1BCL2BCL2L1CALM1
SCHEMBL8873128 0.81 HTR2A (0.52) HTR2ATDP1BCL2BCL2L1CALM1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4140974-B1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LTD (CN) 2025-05-14 EP disclosed
US-12098126-B2 Methods of iron catalyzed C-H bond amination VERSITECH LIMITED (CN) 2024-09-24 US disclosed
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION VERSITECH LIMITED (CN) 2023-04-20 US disclosed
EP-4140974-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION The University of Hong Kong (HK) 2023-03-01 EP disclosed
CN-115710210-A Iron catalyzed amination of C-H bonds 港大科桥有限公司 2023-02-24 CN disclosed
EP-3193881-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2022-02-09 EP disclosed
US-5604242-A ALKOXY- AND CARBOXY-SUBSTITUTED PIPERIDINES FOR SUPPRESSING UPTAKE OF GAMMA-AMINOBUTYRIC ACID, ANALGESICS, ANXIOLYTIC OR ANTIEPILEPTIC AGENTS NOVO NORDISK A/S (DK) 1997-02-18 US disclosed
CN-1128989-A N-substituted azaheterocylic carboxylic acid and esters thereof NOVO NORDISK AS (DK) 1996-08-14 CN disclosed
EP-0705248-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1996-04-10 EP disclosed
WO-1995000486-A1 N-SUBSTITUTED AZAHETEROCYCLIC CARBOXYLIC ACIDS AND ESTERS THEREOF NOVO NORDISK A/S (DK) 1995-01-05 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 (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-12098126-B2 Methods of iron catalyzed C-H bond amination FTH1, FECH, HCCS HTR2A 1233/4885TDP1 4855/4885BCL2 4057/4885
US-20230121302-A1 METHODS OF IRON CATALYZED C-H BOND AMINATION FTH1, FECH, HCCS HTR2A 1233/4885TDP1 4855/4885BCL2 4057/4885

“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.