SCHEMBL25898416

SCHEMBL25898416

CC(CCc1cc(CO)c(O)c(CO)c1)(c1cc(CO)c(O)c(C2CCCCC2)c1)c1cc(CO)c(O)c(C2CCCCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.34
BACE1 P56817 1/20 0.34
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 2/20 0.34
CNR1 P21554 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SHBG P04278 1/20 0.31
KLF10 Q13118 1/20 0.31

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
SCHEMBL25898417 0.97 NUDT1 (0.36) NUDT1BACE1CYP2D6CYP1A2CYP2C19
SCHEMBL25898431 0.87 CYP2D6 (0.49) NUDT1BACE1CYP2D6CYP1A2CYP2C19
SCHEMBL25898418 0.87 CYP2D6 (0.34) NUDT1BACE1CYP2D6CYP1A2CYP2C19
SCHEMBL15803968 0.85 NUDT1 (0.42) NUDT1BACE1CYP2D6CYP1A2CYP2C19
SCHEMBL25898419 0.84 CYP2D6 (0.34) NUDT1BACE1CYP2D6CYP1A2CYP2C19
SCHEMBL25898433 0.84 CYP2D6 (0.46) NUDT1BACE1CYP2D6CYP1A2CYP2C19
SCHEMBL25898408 0.84 SHBG (0.42) CYP2C19CYP2C9TSHRHSD17B10KDM4E
SCHEMBL25898410 0.78 SHBG (0.53) CYP2D6CYP1A2CYP2C19CYP2C9TSHR
SCHEMBL2220926 0.76 KDM4E (0.46) NUDT1BACE1CYP2D6CYP2C9TSHR
SCHEMBL11244148 0.76 CNR1 (0.45) NUDT1BACE1CYP2D6CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234905-A1 NOVEL TRISPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2023-07-27 US disclosed
US-20230234905-A1 NOVEL TRISPHENOL DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2023-07-27 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-20230234905-A1 NOVEL TRISPHENOL DERIVATIVE TTPA, CDK2AP2, CDKL2 NUDT1 2727/4885BACE1 4376/4885CYP2D6 1018/4885

“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.