SCHEMBL9980133

SCHEMBL9980133

CCc1ccc2c(c1)COc1cc(CC)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
AKR1B1 P15121 1/20 0.41
AAK1 Q2M2I8 4/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
ROCK2 O75116 7/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL17954212 0.92 AKR1B1 (0.40) PARP1AKR1B1AAK1ROCK2MAPT
SCHEMBL18462572 0.90 ROCK2 (0.42) PARP1AKR1B1AAK1KCNJ1KCNH2
SCHEMBL803505 0.86 KCNJ1 (0.43) AKR1B1AAK1KCNJ1KCNH2ROCK2
SCHEMBL2756778 0.86 MAPT (0.38) PARP1AAK1ROCK2MAPTALDH1A1
SCHEMBL2756598 0.84 CYP1A2 (0.42) PARP1AKR1B1AAK1KCNJ1KCNH2
SCHEMBL13464901 0.84 CYP1A2 (0.42) PARP1AKR1B1AAK1KCNJ1KCNH2
SCHEMBL17954207 0.81 PRF1 (0.37) AKR1B1ROCK2MAPTGAAPOLB
SCHEMBL14985617 0.80 ROCK2 (0.36) PARP1AKR1B1ROCK2MAPTGAA
SCHEMBL16631512 0.79 AKR1B1 (0.41) AKR1B1AAK1ROCK2MAPTGAA
SCHEMBL13554892 0.79 KCNJ1 (0.60) KCNJ1KCNH2MAPTGAANPC1

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-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PARP1 671/4885AKR1B1 4129/4885AAK1 3098/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PARP1 671/4885AKR1B1 4129/4885AAK1 3098/4885

“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.