SCHEMBL16153545

SCHEMBL16153545

C/C=C\CCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
HPGD P15428 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 2/20 0.49
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 4/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CASP1 P29466 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
GPR52 Q9Y2T5 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CHRM2 P08172 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL16153547 0.82 ALDH1A1 (0.47) ALDH1A1HPGDTDP1USP2ALOX15
SCHEMBL7090001 0.80 ALDH1A1 (0.49) ALDH1A1HPGDTDP1USP2ALOX15
SCHEMBL9725678 0.80 ALDH1A1 (0.49) ALDH1A1HPGDTDP1USP2ALOX15
SCHEMBL10352734 0.79
SCHEMBL6827852 0.75
SCHEMBL7965354 0.75
SCHEMBL7956949 0.75
SCHEMBL4652397 0.75
SCHEMBL983428 0.75
SCHEMBL8146532 0.75 ALDH1A1 (0.54) ALDH1A1HPGDTDP1USP2ALOX15

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-20140303114-A1 METHOD FOR THE EXTRACTION OF FURAN DERIVATIVE COMPOUNDS FROM SEEDS OF HASS AVOCADO (Persea americana Mill) AT LOW TEMPERATURE AND THEIR USE AS REPELLENTS AND MITICIDES AGAINST Tetranychus urticae, Tetranychus cinnabarinus, Oligonychus yothersi, Panonychus citri, and Brevipalpus chilensis. INSTITUTO DE INVESTIGACIONES AGROPECUARIAS (INIA) (CL) 2014-10-09 US disclosed
US-20140303114-A1 METHOD FOR THE EXTRACTION OF FURAN DERIVATIVE COMPOUNDS FROM SEEDS OF HASS AVOCADO (Persea americana Mill) AT LOW TEMPERATURE AND THEIR USE AS REPELLENTS AND MITICIDES AGAINST Tetranychus urticae, Tetranychus cinnabarinus, Oligonychus yothersi, Panonychus citri, and Brevipalpus chilensis. INSTITUTO DE INVESTIGACIONES AGROPECUARIAS (INIA) (CL) 2014-10-09 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-20140303114-A1 METHOD FOR THE EXTRACTION OF FURAN DERIVATIVE COMPOUNDS FROM SEEDS OF HASS AVOCADO (Persea americana Mill) AT LOW TEMPERATURE AND THEIR USE AS REPELLENTS AND MITICIDES AGAINST Tetranychus urticae, Tetranychus cinnabarinus, Oligonychus yothersi, Panonychus citri, and Brevipalpus chilensis. CUTA, DNER, CTSD ALDH1A1 1467/4885HPGD 2646/4885TDP1 3146/4885

“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.