SCHEMBL7241908

SCHEMBL7241908

OC1c2ccccc2CCC1Cc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.50
SLC6A3 Q01959 3/20 0.50
CYP2D6 P10635 2/20 0.50
MCHR1 Q99705 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A1 P30531 1/20 0.46
HPGD P15428 1/20 0.45
HCRTR1 O43613 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
LTB4R Q15722 2/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
SLC6A4 P31645 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7250610 0.79 KDM1A (0.46) CYP3A4SLC6A3CYP2D6MCHR1SLC6A2
SCHEMBL7250161 0.78 OPRD1 (0.43) SLC6A3CYP2D6SLC6A2SLC6A4TSHR
SCHEMBL31558350 0.78 LTB4R (0.53) LTB4RLTB4R2TSHR
SCHEMBL7244280 0.76 HTR6 (0.46) LTB4RLTB4R2TSHR
SCHEMBL7241734 0.76 HTR6 (0.46) SLC6A3CYP2D6SLC6A2LTB4RLTB4R2
SCHEMBL7249487 0.76 HTR6 (0.46) ALDH1A1LTB4RLTB4R2LMNATSHR
SCHEMBL7249674 0.75 BLM (0.41) ALDH1A1LTB4RLTB4R2LMNATSHR
SCHEMBL7246265 0.75 LTB4R (0.43) TAS1R3TAS1R1LTB4RLTB4R2KMT2A
SCHEMBL7243321 0.75 ALDH1A1 (0.42) CYP3A4SLC6A3CYP2D6MCHR1SLC6A2
SCHEMBL7243291 0.73 ALDH1A1 (0.49) HCRTR1ALDH1A1LTB4RLTB4R2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191279-A1 Urea derivatives useful as anticancer agents GOLDSTEIN STEVEN WAYNE (US) 2003-10-09 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-20030191279-A1 Urea derivatives useful as anticancer agents CCNA1, CCNE1, CCND1 CYP3A4 1029/4885SLC6A3 4259/4885CYP2D6 1297/4885

“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.