SCHEMBL2949700

SCHEMBL2949700

C1OC2CC12.ON=Cc1ccc(OC(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
DRD1 P21728 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2904986 0.82 MAPT (0.53) SMN1; SMN2PPARGPPARAPOLBRAB9A
SCHEMBL2954084 0.82 DRD1 (0.59) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL6051027 0.75 ALOX15 (0.45) POLBMAPTALDH1A1KMT2AMEN1
SCHEMBL15270512 0.74 PARP10 (0.46) ALDH1A1KDM4EKMT2AHTTL3MBTL1
SCHEMBL10593391 0.64 DRD1 (0.46) PPARGPPARARAB9ANPC1MAPT
SCHEMBL10593386 0.64 DRD1 (0.46) PPARGPPARARAB9ANPC1MAPT
SCHEMBL2950751 0.64 KMT2A (0.52) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL8003215 0.63 DRD1 (0.57) POLBRAB9ANPC1MAPTALDH1A1
SCHEMBL15270748 0.63 DRD1 (0.43) SMN1; SMN2POLBRAB9ANPC1MAPT
SCHEMBL7789028 0.62 NPC1 (0.61) SMN1; SMN2POLBRAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750009-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US 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-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 SMN1; SMN2 2164/4885PPARG 441/4885PPARA 565/4885

“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.