SCHEMBL6520749

SCHEMBL6520749

CCCCCc1c[nH]c2ccc(Oc3c(Cl)cc(OCC(=O)O)cc3Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.45
HTR1B P28222 10/20 0.45
HTR1D P28221 9/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MTNR1A P48039 2/20 0.42

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
SCHEMBL6512172 0.99 HTR1A (0.46) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6511502 0.97 KDM4E (0.43) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6512073 0.94 KDM4E (0.45) HTR1AHTR1BHTR1DTDP1KDM4E
SCHEMBL6517197 0.94 HTR1A (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6517176 0.94 HTR1A (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6515161 0.93 HTR1A (0.49) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6512696 0.93 HTR1B (0.49) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6513616 0.91 MTNR1A (0.48) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6512419 0.91 HTR1A (0.47) HTR1AHTR1BHTR1DMAPTMAPK1
SCHEMBL6515261 0.90 HTR1A (0.45) HTR1AHTR1BHTR1DMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 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 (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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 HTR1A 17/4885HTR1B 25/4885HTR1D 22/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP HTR1A 970/4885HTR1B 1246/4885HTR1D 1891/4885

“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.