SCHEMBL8014585

SCHEMBL8014585

CC=CC(CO)CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX5 P09917 1/20 0.39
LMNA P02545 4/20 0.38
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 2/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL19991272 1.00 ALDH1A1 (0.43) ALDH1A1TSHRSMN1; SMN2ALOX5LMNA
SCHEMBL31712787 0.91 LMNA (0.50) ALDH1A1TSHRSMN1; SMN2ALOX5LMNA
SCHEMBL5868424 0.86 ALOX5 (0.31) ALOX5
SCHEMBL13760057 0.86
SCHEMBL17732980 0.86
SCHEMBL12475219 0.85 TSHR (0.48) ALDH1A1TSHRSMN1; SMN2LMNAACHE
Ammonia Solution, Strong SCHEMBL28575731 0.83 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2LMNAACHE
SCHEMBL4797099 0.81 TSHR (0.56) ALDH1A1TSHRSMN1; SMN2ACHEBACE1
Hydrochloric Acid SCHEMBL28463630 0.81 TSHR (0.44) ALDH1A1TSHRSMN1; SMN2ACHEBACE1
SCHEMBL4797106 0.81 TSHR (0.56) ALDH1A1TSHRSMN1; SMN2ACHEBACE1

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-20180086682-A1 PROCESSES FOR PREPARING VINYLIDENE DIMER DERIVATIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2018-03-29 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 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-20180086682-A1 PROCESSES FOR PREPARING VINYLIDENE DIMER DERIVATIVES ADH1C, ADH1A, ADH5 ALDH1A1 183/4885TSHR 3332/4885SMN1; SMN2 2215/4885

“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.