SCHEMBL6701737

SCHEMBL6701737

O=C1C=CC(=O)C(OCc2ccccc2)=C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 1.00
MAOB P27338 4/20 1.00
TOP1 P11387 1/20 0.50
ERBB2 P04626 1/20 0.44
HTT P42858 1/20 0.44
GSTP1 P09211 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6273631 0.83 MAOA (0.70) MAOAMAOBTOP1
SCHEMBL28858701 0.81 MAOA (0.68) MAOAMAOBTOP1HTTGSTP1
SCHEMBL6216372 0.78 MAOB (0.63) MAOAMAOBTOP1HTTGSTP1
SCHEMBL10896758 0.74 MAOA (0.58) MAOAMAOBHTTLMNACYP1A2
SCHEMBL8927435 0.74 MAOA (0.58) MAOAMAOBTOP1ERBB2HSD17B3
SCHEMBL20087538 0.73 MAOA (0.57) MAOAMAOBERBB2MAPTHSD17B3
SCHEMBL23181355 0.71 MAOB (0.56) MAOAMAOBTOP1HTTGSTP1
SCHEMBL8460927 0.71 GAPDH (0.57) MAOAMAOBTOP1GSTP1L3MBTL1
SCHEMBL5595832 0.71 PTPRC (0.65) MAOAMAOBL3MBTL1NSD2LMNA
SCHEMBL6267410 0.71 MAOA (0.55) MAOAMAOBERBB2CYP1A2CYP2C19

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
CN-119968192-A Skin care formulations 美国陶氏有机硅公司 2025-05-09 CN disclosed
US-20040049056-A1 Process for preparation of esculetin compounds, esculetin compounds and intermediates thereof, and use of both KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-03-11 US disclosed
EP-1357118-A1 PROCESS FOR PREPARATION OF ESCULETIN COMPOUNDS, ESCULETIN COMPOUNDS AND INTERMEDIATES THEREOF, AND USE OF BOTH Kureha Chemical Industry Co., Ltd. (JP) 2003-10-29 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-20040049056-A1 Process for preparation of esculetin compounds, esculetin compounds and intermediates thereof, and use of both SUCLG1, SALL4, HSD17B14 MAOA 1664/4885MAOB 725/4885TOP1 2658/4885

“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.