SCHEMBL8910012

SCHEMBL8910012

Cc1nc2cc(CCCO)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
P2RY12 Q9H244 2/20 0.47
ALDH1A1 P00352 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAD52 P43351 1/20 0.38
PKM P14618 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
POLB P06746 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 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
SCHEMBL889020 0.90 ALDH1A1 (0.41) PDE3BPDE3AP2RY12ALDH1A1HSP90AA1
SCHEMBL17702654 0.86 TUBB4A (0.44) ALDH1A1S1PR4S1PR1S1PR5HPGD
SCHEMBL889001 0.83 HSD17B10 (0.47) ALDH1A1HSP90AA1ESR2TDP1POLB
SCHEMBL11416418 0.83 S1PR4 (0.48) ALDH1A1S1PR4S1PR1S1PR5KDM4E
Hydrochloric Acid SCHEMBL11366200 0.82 HSD17B10 (0.46) ALDH1A1HSP90AA1ESR2TDP1POLB
SCHEMBL889043 0.81 ALDH1A1 (0.41) ALDH1A1HSP90AA1ESR2TDP1PKM
SCHEMBL889048 0.81 RAD52 (0.43) ALDH1A1TDP1RAD52POLBKDM4E
SCHEMBL12213873 0.80 ALDH1A1 (0.46) ALDH1A1HSP90AA1ESR2TDP1RAD52
SCHEMBL8909217 0.79 FFAR1 (0.52) HSP90AA1ESR2TDP1
SCHEMBL3265753 0.78 ALDH1A1 (0.44) ALDH1A1HSP90AA1ESR2TDP1POLB

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-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 PDE3B 1434/4885PDE3A 1806/4885P2RY12 1692/4885

“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.