SCHEMBL15540909

SCHEMBL15540909

CC1c2cccc(c2O)Cc2cccc(c2O)Cc2cccc(c2O)Cc2cccc1c2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.39
HRH1 P35367 6/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPN P05981 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
KDR P35968 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL22171273 0.79
SCHEMBL1471552 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL2471777 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL29644944 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL29366399 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL29383145 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL29469562 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL12168748 0.79 ALDH1A1 (0.48) HTR2AMEN1USP2ALDH1A1HPN
SCHEMBL15541504 0.76 HTR2A (0.44) HTR2AHRH1HTR2CDRD2
SCHEMBL9633656 0.75 HTR2A (0.58) HTR2AHRH1HTR2CHDAC4HDAC7

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 2766/4885MEN1 468/4885

“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.