SCHEMBL12820080

SCHEMBL12820080

C=C(OCC)c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 1/20 0.47
PARP1 P09874 1/20 0.46
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL21507802 0.90 DHODH (0.41) TDP1HPGDALDH1A1MAPTL3MBTL1
SCHEMBL16891380 0.83 MAPK1 (0.45) PARP1ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL24452665 0.81 ALDH1A1 (0.40) ALDH1A1MAPTNPC1
SCHEMBL14537322 0.81 ELANE (0.45) TDP1HPGDPARP1ALDH1A1MAPT
SCHEMBL20434237 0.80 CYP4F2 (0.55) HPGDALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL13891635 0.80 HDAC8 (0.50) TDP1HPGDPARP1HDAC8HDAC6
SCHEMBL3391109 0.79 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13928215 0.79 KMT2A (0.43) HPGDALDH1A1MAPTKDM4EELANE
SCHEMBL19762349 0.79 KAT6A (0.40) TDP1HPGDHDAC8ALDH1A1MAPT
SCHEMBL21065590 0.79 ALDH1A1 (0.53) TDP1HPGDPARP1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2732818-B1 A BIPHENYLSULFONAMIDE ENDOTHELIN AND ANGIOTENSIN II RECEPTOR ANTAGONIST TO TREAT GLOMERULOSCLEROSIS LIGAND PHARM INC (US) 2017-05-03 EP disclosed
US-8889677-B2 Substituted triazoles useful as mGlu5 receptor modulators Boehringer Ingellheim International GmbH (DE) 2014-11-18 US disclosed
US-20130184248-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 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-20130184248-A1 NOVEL COMPOUNDS GRM5, GRIN1, GRM1 TDP1 1625/4885HPGD 2850/4885PARP1 4076/4885

“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.