SCHEMBL15541504

SCHEMBL15541504

CCCC1c2cccc(c2O)Cc2cccc(c2O)Cc2cccc(c2O)Cc2cccc1c2O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.44
HRH1 P35367 9/20 0.44
HTR2C P28335 2/20 0.38
DRD2 P14416 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTPRC P08575 3/20 0.36
PTPN2 P17706 3/20 0.36
PTPN1 P18031 3/20 0.36
PTPRB P23467 3/20 0.36
PTPN11 Q06124 3/20 0.36
GSTA1 P08263 2/20 0.36
GSTP1 P09211 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SHBG P04278 1/20 0.34

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
SCHEMBL15541434 0.89 HTR2A (0.45) HTR2AHRH1HTR2CDRD2SLC6A2
SCHEMBL6402457 0.79 HTR2A (0.41) HTR2AHRH1HTR2CSLC6A2SLC6A4
SCHEMBL15540909 0.76 HTR2A (0.39) HTR2AHRH1HTR2CDRD2
SCHEMBL15540134 0.73 HTR2A (0.41) HTR2AHRH1HTR2CDRD2SLC6A2
SCHEMBL29469562 0.72 ALDH1A1 (0.48) HTR2ADRD2PTPRCPTPN2PTPN1
SCHEMBL29644944 0.72 ALDH1A1 (0.48) HTR2ADRD2PTPRCPTPN2PTPN1
SCHEMBL29366399 0.72 ALDH1A1 (0.48) HTR2ADRD2PTPRCPTPN2PTPN1
SCHEMBL29383145 0.72 ALDH1A1 (0.48) HTR2ADRD2PTPRCPTPN2PTPN1
SCHEMBL2471777 0.72 ALDH1A1 (0.48) HTR2ADRD2PTPRCPTPN2PTPN1
SCHEMBL1471552 0.72 ALDH1A1 (0.48) HTR2ADRD2PTPRCPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150147273-A1 RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT KONINKLIJKE PHILIPS N.V. (NL) 2015-05-28 US disclosed
EP-2858681-A2 RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT Koninklijke Philips N.V. (NL) 2015-04-15 EP disclosed
WO-2013186690-A2 RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT KONINKLIJKE PHILIPS N.V. (NL) 2013-12-19 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-20150147273-A1 RADIOLABELED ANALOG(S) OF COMPOUND 0118 AND USE THEREOF IN CONNECTION WITH PET AND/OR SPECT IMAGING TO DETERMINE WHETHER A PHARMACEUTICAL CONTAINING COMPOUND 0118 IS A CANDIDATE CANCER TREATMENT FOR A PATIENT LGALS1, LGALS8, LGALS2 HTR2A 3398/4885HRH1 2766/4885HTR2C 3234/4885

“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.