SCHEMBL15540504

SCHEMBL15540504

CCCCCC1c2cccc(c2OC)Cc2cccc(c2OC)Cc2cccc(c2OC)Cc2cccc1c2OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 15/20 0.43
▸ HRH1 P35367 7/20 0.43
▸ HTR2C P28335 2/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ GSTA1 P08263 2/20 0.34
▸ GSTP1 P09211 2/20 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
SCHEMBL15540134 0.89 HTR2A (0.41) HTR2AHRH1HTR2CDRD2SLC6A2
SCHEMBL15541434 0.76 HTR2A (0.45) HTR2AHRH1HTR2CDRD2SLC6A2
SCHEMBL15541260 0.75 PPARA (0.44) HTR2AHRH1GSTA1GSTP1
SCHEMBL15541505 0.74 HTR2A (0.40) HTR2AHRH1HTR2C
SCHEMBL15541243 0.73 KDM4E (0.43) HTR2ADRD2
SCHEMBL7156095 0.71 HTR2A (0.57) HTR2AHRH1HTR2CDRD2SLC6A2
SCHEMBL877438 0.68 HTR2A (0.56) HTR2A
Hydroxyamine SCHEMBL11037119 0.67 CD69 (0.44) HTR2ADRD2
SCHEMBL3977109 0.67 HTR2A (0.54) HTR2A
SCHEMBL6060761 0.67 HTR2A (0.54) HTR2A

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.

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