SCHEMBL14371997

SCHEMBL14371997

CC(=O)C(C(C)=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ACP3 P15309 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16376975 0.85 ALDH1A1 (0.49) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL28224851 0.83 ESR1 (0.37) ESR1ACP3ALDH1A1HPGDACHE
SCHEMBL29388433 0.82 ALDH1A1 (0.50) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL22917035 0.82 ESR1 (0.46) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL2206363 0.82 SRC (0.50) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL30136352 0.82 SRC (0.50) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL26229977 0.80 ESR1 (0.39) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL28885018 0.80 ALDH1A1 (0.37) ESR1ACP3ALDH1A1HPGDMEN1
SCHEMBL21552683 0.80 ESR1 (0.45) ESR1ACP3ALDH1A1HPGDTSHR
SCHEMBL124623 0.80 ESR1 (0.45) ESR1ACP3ALDH1A1HPGDTSHR

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-20070249634-A1 Triazolopyrimidine Compounds and Use Thereof for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2007-10-25 US disclosed
US-20070238744-A1 Use of 6-(2-Tolyl)-Triazolopyrimidines as Fungicides, Novel 6-(2-Tolyl)-Triazolopyrimidines, Method for the Production Thereof, Used There of for Controlling Harmful Fungi, and Agents Containing the Same BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 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-20070249634-A1 Triazolopyrimidine Compounds and Use Thereof for Controlling Harmful Fungi CBR3, CBR1, NR2C2 ESR1 1703/4885ACP3 4028/4885ALDH1A1 1667/4885
US-20070238744-A1 Use of 6-(2-Tolyl)-Triazolopyrimidines as Fungicides, Novel 6-(2-Tolyl)-Triazolopyrimidines, Method for the Production Thereof, Used There of for Controlling Harmful Fungi, and Agents Containing the Same DPM1, CYP4X1, CBR1 ESR1 4748/4885ACP3 4582/4885ALDH1A1 1183/4885

“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.