SCHEMBL23458239

SCHEMBL23458239

C=C(C)COc1c(C)cc(Cc2nccc3cc(OC)c(OC)cc23)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 11/20 0.58
▸ PDE3B Q13370 7/20 0.58
▸ PDE3A Q14432 7/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ USP2 O75604 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ PDE2A O00408 1/20 0.58
▸ ABCC4 O15439 1/20 0.58
▸ PDE5A O76074 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ TSHR P16473 1/20 0.58

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
SCHEMBL23457840 0.86 PDE10A (0.69) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457387 0.82 PDE10A (0.67) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457842 0.82 PDE10A (0.60) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457444 0.78 PDE10A (0.78) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457466 0.78 CASP3 (0.60) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457737 0.78 ACHE (0.60) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457662 0.78 PDE10A (0.77) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL23457449 0.78 PDE10A (0.72) PDE10APDE3BPDE3ASMN1; SMN2USP2
Papaverine SCHEMBL9551009 0.74 PDE10A (1.00) PDE10APDE3BPDE3ASMN1; SMN2USP2
SCHEMBL11845148 0.74 PDE10A (0.77) PDE10APDE3BPDE3ASMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-03 — — 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-20210163453-A1 DERIVATIVES OF PAPAVERINE THAT ARE EFFECTIVE HYPOXIC TUMOR RADIOSENSITIZERS HIF1AN, HIF1A, HYOU1 PDE10A 590/4885PDE3B 359/4885PDE3A 266/4885

“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.

Send feedback