SCHEMBL29872827

SCHEMBL29872827

CCCOc1cccc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GRM5 P41594 1/20 0.47
▸ CYP2A6 P11509 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NCF1 P14598 6/20 0.44
▸ CACNA2D1 P54289 2/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ CYBB P04839 1/20 0.43
▸ NOX5 Q96PH1 1/20 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
SCHEMBL9969535 1.00 HTR1B (0.48) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL827493 0.92 HTR1B (0.47) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL23412378 0.89 MAPT (0.52) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL10950611 0.89 NCF1 (0.51) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL10945765 0.89 NCF1 (0.51) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL19938062 0.88 TLR8 (0.47) HTR1AMEN1KMT2ANCF1TLR8
SCHEMBL23412188 0.87 NCF1 (0.51) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL23412437 0.86 NCF1 (0.58) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL9601934 0.86 SYK (0.54) HTR1BHTR1AHTR1DMEN1KMT2A
SCHEMBL23412394 0.84 NCF1 (0.59) KDM4EMAPTNCF1CYBBNOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220257540-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEPATITIS B VIRUS INFECTION ANHUI RONGHANG BIOTECH DEVELOPMENT CO., LTD. (CN) 2022-08-18 — — 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-20220257540-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HEPATITIS B VIRUS INFECTION ABCB1, CYP7A1, CYP3A43 HTR1B 2192/4885HTR1A 3678/4885HTR1D 4713/4885

“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.

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