SCHEMBL9205486

SCHEMBL9205486

CC(C)Oc1cc(C(=O)O)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3A P46098 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
DHODH Q02127 4/20 0.53
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
PDE10A Q9Y233 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL4675921 0.86 KDM4E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2016229 0.83 MEN1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28339549 0.82 MEN1 (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9204352 0.81 DHODH (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23722890 0.80 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9203821 0.79 KDM4E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23722826 0.78 HTT (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15483502 0.78 L3MBTL1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28907661 0.77 PLA2G10 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7939470 0.77 PDE10A (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574530-B ACC inhibitor and medical application thereof 徐州医科大学 2022-07-26 CN disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 US disclosed
CN-111574530-A ACC inhibitor and medical application thereof 徐州医科大学 2020-08-25 CN disclosed
EP-0564650-B1 QUINOLINE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1995-09-20 EP disclosed
US-5319085-A Antiemetic agents; anticarcinogenic agent-induced vomiting; antianxiolytic agents; psychological disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-06-07 US disclosed
EP-0564650-A1 QUINOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-10-13 EP 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT HTR3E 498/4885HTR3B 435/4885HTR3A 922/4885

“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.