SCHEMBL1120971

SCHEMBL1120971

c1ccc2c3c([nH]c2c1)Cc1c([nH]c2ccccc12)Cc1c([nH]c2ccccc12)C3

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
KDM4E B2RXH2 4/20 0.55
NR2E1 Q9Y466 2/20 0.55
HTR5A P47898 1/20 0.55
NISCH Q9Y2I1 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
DRD2 P14416 5/20 0.53
DRD1 P21728 5/20 0.53
DRD4 P21917 5/20 0.53
DRD5 P21918 5/20 0.53
DRD3 P35462 4/20 0.53
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ADRA1D P25100 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL10019851 1.00 HTR2A (0.57) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL30569666 1.00 HTR2A (0.57) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL30569664 1.00 HTR2A (0.57) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL23636196 0.87 DRD5 (0.64) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL29378703 0.83 KDM4E (0.66) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL2630572 0.83 KDM4E (0.66) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL30583743 0.83 KDM4E (0.66) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL10561615 0.79 HTR2A (0.71) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL29629600 0.79 HTR2A (0.71) HTR2AHTR2CKDM4ENR2E1HTR5A
SCHEMBL4278429 0.78 KDM4E (0.56) HTR2AHTR2CKDM4ENR2E1HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200113800-A1 COSMETIC COMPOSITION MANKE NICOLE (US) 2020-04-16 US claimed
EP-1030663-B1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS (US) 2010-03-10 EP claimed
US-6613792-B1 Treatment of premenstrual syndrome and menopause DESIGNED NUTRITIONAL PRODUCTS, INC. 2003-09-02 US claimed
EP-1030663-A4 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS (US) 2002-06-26 EP claimed
WO-2001008637-A2 TREATMENT OF PREMENSTRUAL SYNDROME AND MENOPAUSE DESIGNED NUTRITIONAL PRODUCTS, INC. (US) 2001-02-08 WO claimed
EP-1030663-A1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS Designed Nutritional Products Inc. (US) 2000-08-30 EP claimed
WO-1999017768-A1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS, INC. (US) 1999-04-15 WO claimed
US-20230285257-A1 COSMETIC COMPOSITION MANKE NICOLE (US) 2023-09-14 US disclosed
US-20200113800-A1 COSMETIC COMPOSITION MANKE NICOLE (US) 2020-04-16 US disclosed
US-9663462-B2 Anti-parasitic methods and compositions utilizing diindolylmethane-related indoles BIORESPONSE, L.L.C. (US) 2017-05-30 US disclosed
US-9353058-B2 Anti-parasitic methods and compositions utilizing diindolylmethane-related indoles BIORESPONSE, L.L.C. (US) 2016-05-31 US disclosed
US-20160101083-A1 ANTI-PARASITIC METHODS AND COMPOSITIONS UTILIZING DIINDOLYLMETHANE-RELATED INDOLES BIORESPONSE, L.L.C. (US) 2016-04-14 US disclosed
EP-1623985-B1 ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTATIVE AGENTS STANFORD RES INST INT (US) 2016-02-17 EP disclosed
US-6800655-B2 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-10-05 US disclosed
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents JONG LING (US) 2004-08-12 US disclosed
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents SRI INTERNATIONAL 2004-03-04 US disclosed
US-6613792-B1 Treatment of premenstrual syndrome and menopause DESIGNED NUTRITIONAL PRODUCTS, INC. 2003-09-02 US disclosed
EP-1030663-A4 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS (US) 2002-06-26 EP disclosed
EP-1030663-A1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS Designed Nutritional Products Inc. (US) 2000-08-30 EP disclosed
WO-1999017768-A1 TREATMENT OF FIBROMYALGIA AND RELATED DISORDERS DESIGNED NUTRITIONAL PRODUCTS, INC. (US) 1999-04-15 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 (3 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-20160101083-A1 ANTI-PARASITIC METHODS AND COMPOSITIONS UTILIZING DIINDOLYLMETHANE-RELATED INDOLES CASP3, IDO1, INMT HTR2A 1177/4885HTR2C 1087/4885KDM4E 3429/4885
US-20040043965-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 HTR2A 179/4885HTR2C 79/4885KDM4E 3192/4885
US-20040157906-A1 Analogs of indole-3-carbinol metabolites as chemotherapeutic and chemopreventive agents IDO1, IDO2, TPH1 HTR2A 179/4885HTR2C 79/4885KDM4E 3192/4885

“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.