SCHEMBL4373874

SCHEMBL4373874

COC(C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
EDNRB P24530 12/20 0.43
EDNRA P25101 12/20 0.43
NR1I2 O75469 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CES1 P23141 1/20 0.42
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
KIF11 P52732 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 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
SCHEMBL4366909 0.85 KMT2A (0.47) KCNN4EDNRBEDNRAPOLBMAPT
SCHEMBL5503297 0.81 EDNRB (0.44) KCNN4EDNRBEDNRANR1I2KCNE1
SCHEMBL7288198 0.75 CYP1A2 (0.48) KCNN4MAPTKMT2ACES1CYP2C19
SCHEMBL8854204 0.75 MAPT (0.48) KCNN4MAPTKMT2ACYP2C19HIF1A
SCHEMBL9369015 0.74 EDNRB (0.76) EDNRBEDNRANR1I2KCNE1KCNQ1
SCHEMBL618737 0.74 MAPT (0.48) KCNN4MAPTKMT2ACES1CYP2C19
SCHEMBL7208176 0.74 KMT2A (0.47) KCNN4MAPTKMT2ACES1CYP2C19
SCHEMBL430340 0.74 CYP1A2 (0.47) KCNN4MAPTKMT2ACYP2C19HIF1A
SCHEMBL60357 0.74 MAPT (0.47) KCNN4MAPTKMT2ACYP2C19HIF1A
SCHEMBL4365780 0.74 CYP1A2 (0.47) KCNN4MAPTKMT2ACYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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 (2 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR KCNN4 4506/4885EDNRB 48/4885EDNRA 212/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR KCNN4 4506/4885EDNRB 48/4885EDNRA 212/4885

“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.