SCHEMBL1722931

SCHEMBL1722931

Cc1ccc2[nH]cc(CO)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.65
HTR2A P28223 3/20 0.65
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
LMNA P02545 2/20 0.53
RAB9A P51151 1/20 0.53
HTR1B P28222 2/20 0.52
HTR2C P28335 2/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR1E P28566 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
ADRA1B P35368 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL2831695 0.86 HTR2A (0.71) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL4612891 0.85 HTR2A (0.65) HTR1DHTR2AMTNR1AMTNR1BRAB9A
SCHEMBL18383116 0.85 HTR1D (0.69) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL7651463 0.83 HTR1D (0.67) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL31567644 0.81 HTR1D (0.65) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL26636447 0.81 GPR84 (0.70) HTR1DHTR2AHTR1APCSK9MAPT
SCHEMBL8344495 0.80 HTR1D (0.73) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL24814500 0.80 MTNR1A (0.63) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL6116786 0.80 TSHR (0.69) HTR1DHTR2AMTNR1AMTNR1BLMNA
SCHEMBL699380 0.80 HTR2A (0.58) HTR1DHTR2AMTNR1AMTNR1BLMNA

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606887-A1 DIINDOLYLMETHANE, PRECURSOR AND DERIVATIVES THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING LIVER DISEASES Nanjing University (CN) 2013-06-26 EP claimed
CN-102370638-A Application of 3,3'-diindolylmethane and 3,3'-diindolylmethane derivatives in preparation of drugs for treating liver diseases NANJING UNIVERSITY 2012-03-14 CN claimed
CN-102209521-A Hair care compositions, methods and articles of commerce that can enhance the appearance of thicker and fuller hair PROCTER & GAMBLE 2011-10-05 CN claimed
EP-2344114-A2 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR The Procter & Gamble Company (US) 2011-07-20 EP claimed
WO-2010054343-A2 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR THE PROCTER & GAMBLE COMPANY (US) 2010-05-14 WO claimed
US-20100120871-A1 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR THE PROCTER & GAMBLE COMPANY 2010-05-13 US claimed
US-20040058897-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2004-03-25 US claimed
US-6605605-B2 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2003-08-12 US claimed
EP-0971890-B1 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS TEXAS A & M UNIV SYS (US) 2002-11-27 EP claimed
US-20020058648-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2002-05-16 US claimed
EP-0971890-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-01-19 EP claimed
US-5948808-A Indole-3-carbinol, diindolylmethane and substituted analogs as antiestrogens THE TEXAS A&M UNIVERSITY SYSTEM (US) 1999-09-07 US claimed
WO-1998050357-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1998-11-12 WO claimed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
EP-3813766-A1 SCALP CARE COMPOSITION WITH WELL DISPERSED PARTICULATE SCALP BENEFIT AGENTS The Procter & Gamble Company (US) 2021-05-05 EP disclosed
CN-112367960-A Scalp care compositions with uniformly dispersed particulate scalp benefit agents 宝洁公司 2021-02-12 CN disclosed
US-20020058648-A1 Estrogenic substances combined with cruciferous indole compounds HAMMERLY MILTON (US) 2002-05-16 US disclosed
EP-0971890-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2000-01-19 EP disclosed
US-5948808-A Indole-3-carbinol, diindolylmethane and substituted analogs as antiestrogens THE TEXAS A&M UNIVERSITY SYSTEM (US) 1999-09-07 US disclosed
WO-1998050357-A2 SUBSTITUTED ANALOGS OF INDOLE-3-CARBINOL AND OF DIINDOLYMETHANE AS ANTIESTROGENS THE TEXAS A & M UNIVERSITY SYSTEM (US) 1998-11-12 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-20100120871-A1 HAIR CARE COMPOSITIONS, METHODS, AND ARTICLES OF COMMERCE THAT CAN INCREASE THE APPEARANCE OF THICKER AND FULLER HAIR SHH, FSCN1, CUTA HTR1D 1277/4885HTR2A 478/4885MTNR1A 2547/4885

“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.