SCHEMBL7200892

SCHEMBL7200892

C=CCOc1ccccc1CC#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LIG1 P18858 1/20 0.43
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
SLC22A1 O15245 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL17008035 0.83 KDM4E (0.48) ALDH1A1KDM4EMAPTL3MBTL1TSHR
SCHEMBL6884931 0.81 MAPT (0.48) ALDH1A1KDM4EMAPTL3MBTL1TSHR
SCHEMBL2150775 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTL3MBTL1TSHR
SCHEMBL16149228 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTL3MBTL1TSHR
SCHEMBL5085750 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTL3MBTL1TSHR
SCHEMBL14151108 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTL3MBTL1TSHR
SCHEMBL8591060 0.78 HTR1A (0.49) ALDH1A1KDM4EMAPTTSHRLMNA
SCHEMBL6691434 0.78 GAA (0.51) ALDH1A1KDM4EMAPTTSHRMAPK1
1,2-Diallyloxybenzene SCHEMBL29768784 0.77 HPGD (0.60) ALDH1A1KDM4EMAPTL3MBTL1TSHR
1,2-Diallyloxybenzene SCHEMBL366516 0.77 HPGD (0.60) ALDH1A1KDM4EMAPTL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN disclosed
EP-4329762-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF Cornell University (US) 2024-03-06 EP disclosed
WO-2022232259-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2022-11-03 WO disclosed
WO-2003042148-A2 PROCESS FOR PRODUCING BISBENZIL COMPOUNDS SHOWA DENKO K. K. (JP) 2003-05-22 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 (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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 ALDH1A1 638/4885KDM4E 4664/4885MAPT 506/4885

“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.