SCHEMBL25192514

SCHEMBL25192514

Cc1ccccc1[C@H]1C=Cc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GUSB P08236 1/20 0.30
TSHR P16473 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL17227886 1.00 HTR2C (0.33) HTR2CHTR2AHTR2BNFKB1NFKB2
SCHEMBL17220875 1.00 HTR2C (0.33) HTR2CHTR2AHTR2BNFKB1NFKB2
SCHEMBL17227896 0.79 CYP19A1 (0.36) HTR2CHTR2B
SCHEMBL17220879 0.79 CYP19A1 (0.36) HTR2CHTR2B
SCHEMBL17227902 0.77 MAOB (0.40) NFKB1NFKB2RELATP53
SCHEMBL15954244 0.77 MAOB (0.40) NFKB1NFKB2RELATP53
SCHEMBL25201323 0.77 MAOB (0.40) NFKB1NFKB2RELATP53
SCHEMBL643216 0.77 KDM1A (0.38) HTT
SCHEMBL15953692 0.76 HTR2A (0.36) HTR2CHTR2AHTR2B
SCHEMBL29507309 0.76 HTR2C (0.38) HTR2CHTR2BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952358-B2 Flavan-3-ol analogs and anti-inflammatory activity HONG KONG BAPTIST UNIVERSITY (CN) 2024-04-09 US disclosed
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY HONG KONG BAPTIST UNIVERSITY (CN) 2023-05-25 US disclosed
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY HONG KONG BAPTIST UNIVERSITY (CN) 2023-05-25 US disclosed
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY HONG KONG BAPTIST UNIVERSITY (CN) 2023-05-25 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-11952358-B2 Flavan-3-ol analogs and anti-inflammatory activity IL1A, IL6, IL1B HTR2C 2780/4885HTR2A 1979/4885HTR2B 3193/4885
US-20230159482-A1 FLAVAN-3-OL ANALOGS AND ANTI-INFLAMMATORY ACTIVITY IL1A, IL6, IL1B HTR2C 2780/4885HTR2A 1979/4885HTR2B 3193/4885

“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.