SCHEMBL4795474

SCHEMBL4795474

O=C(O)COCc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 1/20 0.56
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.54
CYP1A2 P05177 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
PARP10 Q53GL7 1/20 0.50
ATM Q13315 1/20 0.48
CTNNB1 P35222 1/20 0.47
ACP3 P15309 1/20 0.46
LMNA P02545 2/20 0.46
EPHX1 P07099 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
Hydrochloric Acid SCHEMBL7275360 0.98 TDP1 (0.59) TDP1KDM4EHPGDALDH1A1FFAR1
SCHEMBL48684 0.83 TDP1 (0.57) TDP1KDM4EHPGDALDH1A1FFAR1
SCHEMBL11556832 0.83 ALOX15 (0.50) ALDH1A1FFAR1AKR1B1MEN1KMT2A
SCHEMBL31012122 0.81 CYP1A2 (0.56) TDP1HPGDCYP1A2SLC1A3SLC1A2
SCHEMBL4850585 0.81 CYP1A2 (0.56) TDP1HPGDCYP1A2SLC1A3SLC1A2
Hydroxyamine SCHEMBL8924246 0.80 MEN1 (0.53) TDP1HPGDCYP1A2SLC1A3SLC1A2
SCHEMBL2575317 0.79 TDP1 (0.59) TDP1KDM4EHPGDFFAR1AKR1B1
Sulfuric Acid SCHEMBL28586052 0.79 TDP1 (0.50) TDP1KDM4EFFAR1AKR1B1CYP1A2
SCHEMBL1009199 0.79 FFAR1 (0.53) TDP1FFAR1AKR1B1CYP1A2SLC1A3
SCHEMBL4798576 0.78 SLC1A3 (0.55) TDP1KDM4EHPGDALDH1A1FFAR1

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
CN-110972858-A Wild angelica sinensis introduction and cultivation method 甘肃步云农牧科技有限责任公司 2020-04-10 CN claimed
CN-110972858-A Wild angelica sinensis introduction and cultivation method 甘肃步云农牧科技有限责任公司 2020-04-10 CN disclosed
WO-2008089256-A2 POLYMERIC THERAPEUTICS CAPPELLA, INC. (US) 2008-07-24 WO disclosed
US-20060229236-A1 Cyclic tetrapeptide compound and use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-10-12 US disclosed
EP-1458746-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-22 EP disclosed
WO-2003057722-A2 CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20060229236-A1 Cyclic tetrapeptide compound and use thereof NGLY1, CRH, NPY1R TDP1 2175/4885KDM4E 4275/4885HPGD 3538/4885

“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.