SCHEMBL4985934

SCHEMBL4985934

c1ccc2c(CCc3c[nH]c4ccccc34)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.77
CYP3A4 P08684 2/20 0.77
HTR2C P28335 2/20 0.77
HTR6 P50406 2/20 0.77
MPO P05164 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2A6 P11509 1/20 0.77
NFKB1 P19838 1/20 0.77
HTR1D P28221 1/20 0.77
HTR1B P28222 1/20 0.77
HTR7 P34969 1/20 0.77
CTSK P43235 1/20 0.77
CYP2A13 Q16696 1/20 0.77
TAAR1 Q96RJ0 1/20 0.77
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
MAPT P10636 1/20 0.75
AHR P35869 1/20 0.75
GPR84 Q9NQS5 1/20 0.75

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
SCHEMBL7004146 0.91 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7005718 0.91 HTR2A (0.71) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL8524609 0.90 MEN1 (0.70) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7889427 0.89 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7001306 0.89 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL7004071 0.89 HTR2A (0.69) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL91128 0.87 HTR2A (0.72) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL219533 0.87 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL5522209 0.87 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6MPO
SCHEMBL4229484 0.87 HTR2A (0.67) HTR2ACYP3A4HTR2CHTR6MPO

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
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US claimed
CN-108546244-B Synthetic method of 3, 3' -diindolylethane compound 南昌航空大学 2021-04-23 CN disclosed
CN-108546244-B Synthetic method of 3, 3' -diindolylethane compound 南昌航空大学 2021-04-23 CN disclosed
EP-2174979-B1 Resin composition and resin molded product SONY CORP (JP) 2010-11-17 EP disclosed
US-7348352-B2 Diindolylmethane for the treatment of HPV infection BIORESPONSE L.L.C. (US) 2008-03-25 US disclosed
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 US disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 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 (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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM HTR2A 536/4885CYP3A4 4221/4885HTR2C 989/4885

“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.