SCHEMBL3268079

SCHEMBL3268079

COc1ccc2ccc(OCCO)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.53
PPARG P37231 1/20 0.53
RAB9A P51151 2/20 0.50
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
ABCB11 O95342 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45

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
SCHEMBL3268274 0.96 CYP1A2 (0.52) CYP1A2CYP2A6PPARGRAB9ACYP11B1
SCHEMBL8361854 0.90 CA1 (0.56) PPARGRAB9ACA12CA1CA9
SCHEMBL30498736 0.90 CA1 (0.56) PPARGRAB9ACA12CA1CA9
SCHEMBL8615953 0.86 CA1 (0.59) RAB9ACA12CA1CA9KDM4E
SCHEMBL15772726 0.83 CYP1A2 (0.55) CYP1A2CYP2A6PPARGRAB9ACYP11B1
SCHEMBL15772637 0.83 PPARG (0.58) CYP1A2CYP2A6PPARGRAB9ACYP11B1
SCHEMBL432069 0.82 KDM4E (0.68) PPARGRAB9ACA12CA1CA9
SCHEMBL29385642 0.82 KDM4E (0.68) PPARGRAB9ACA12CA1CA9
SCHEMBL7979973 0.81 RAB9A (0.57) CYP1A2CYP2A6PPARGRAB9ACYP11B1
SCHEMBL9740557 0.81 PPARG (0.56) CYP1A2CYP2A6PPARGRAB9ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CYP1A2 24/4885CYP2A6 169/4885PPARG 1671/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 CYP1A2 24/4885CYP2A6 169/4885PPARG 1671/4885

“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.