SCHEMBL7053152

SCHEMBL7053152

BrCOc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 10/20 0.60
KDM4E B2RXH2 2/20 0.56
KCNA3 P22001 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR1D P28221 1/20 0.55
SLC6A4 P31645 2/20 0.53
HRH1 P35367 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
NR2E1 Q9Y466 1/20 0.51
OGG1 O15527 1/20 0.50

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
SCHEMBL2204553 0.83 HTR1B (0.67) HTR1BKCNA3ALDH1A1HPGDTDP1
SCHEMBL5289923 0.82 HTR1B (0.77) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL16902842 0.82 HTR1B (0.64) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL2207985 0.82 HTR1B (0.68) HTR1BKCNA3TDP1HTR1DSLC6A4
SCHEMBL1681047 0.80 KCNA3 (0.69) HTR1BKCNA3TDP1HTR1DSLC6A4
SCHEMBL6675778 0.80 HTR1B (0.62) HTR1BKDM4EKCNA3ALDH1A1HPGD
SCHEMBL2177350 0.80 HTR1B (0.78) HTR1BKCNA3TDP1HTR1DSLC6A4
SCHEMBL9770352 0.80 KCNA3 (0.81) HTR1BKCNA3TDP1HTR1DSLC6A4
SCHEMBL30499047 0.80 KDM4E (0.68) HTR1BKDM4EALDH1A1HPGDTDP1
SCHEMBL9329851 0.80 KDM4E (0.68) HTR1BKDM4EALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461553-A Synthesis method of dapoxetine and dapoxetine hydrochloride 上海科利生物医药有限公司 2021-10-01 CN claimed
CN-113024365-B Industrial production method of benzo [ c ] phenanthrene-5-trifluoromethanesulfonate 西安瑞联新材料股份有限公司 2023-02-10 CN disclosed
CN-113461553-A Synthesis method of dapoxetine and dapoxetine hydrochloride 上海科利生物医药有限公司 2021-10-01 CN disclosed
CN-113461553-A Synthesis method of dapoxetine and dapoxetine hydrochloride 上海科利生物医药有限公司 2021-10-01 CN disclosed
CN-113024365-A Industrial production method of benzo [ c ] phenanthrene-5-trifluoromethanesulfonate 西安瑞联新材料股份有限公司 2021-06-25 CN disclosed
US-20030032779-A1 Estrogen receptor ligands OHMAN LARS (SE) 2003-02-13 US disclosed
WO-1997015566-A1 NOVEL OLIGOMERS, PROCESS FOR THEIR PREPARATION AND METHODS FOR THEIR USE GEORGHIOU PARIS E (CA) 1997-05-01 WO disclosed
US-4087403-A Polyphosphinate flame retardants MONSANTO COMPANY (US) 1978-05-02 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 (1 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-20030032779-A1 Estrogen receptor ligands ESR1, ESRRB, GPER1 HTR1B 1792/4885KDM4E 3197/4885KCNA3 3696/4885

“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.