SCHEMBL16544487

SCHEMBL16544487

C1=C(OCCCCOC2=CCCCC2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL6826930 0.93 KCNH2 (0.34) KCNH2HRH3
SCHEMBL6826962 0.91 KCNH2 (0.33) KCNH2HRH3
SCHEMBL11699138 0.90 LTA4H (0.37)
SCHEMBL16548119 0.90 LOX (0.35)
SCHEMBL20703695 0.89
SCHEMBL10798480 0.88 LTA4H (0.39)
SCHEMBL28894182 0.88 LTA4H (0.36)
SCHEMBL11124801 0.88 LTA4H (0.39)
SCHEMBL7057550 0.87 TSHR (0.38)
SCHEMBL16544484 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464020-B2 Process for producing phenol and cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-11 US disclosed
US-9464020-B2 Process for producing phenol and cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-11 US disclosed
US-9181165-B2 Process for producing phenol and cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-11-10 US disclosed
US-9181165-B2 Process for producing phenol and cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-11-10 US disclosed
US-20150094495-A1 Process for Producing Phenol and Cyclohexanone ExxonMobil Chemical Company Patents Inc. (US) 2015-04-02 US disclosed
US-20150094495-A1 Process for Producing Phenol and Cyclohexanone ExxonMobil Chemical Company Patents Inc. (US) 2015-04-02 US disclosed
US-20150065753-A1 Process for Producing Phenol and Cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. 2015-03-05 US disclosed
US-20150065753-A1 Process for Producing Phenol and Cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. 2015-03-05 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-20150065753-A1 Process for Producing Phenol and Cyclohexanone PDK4, PDK3, ADH1C KDM1A 181/4885KCNH2 1442/4885HRH3 310/4885
US-20150094495-A1 Process for Producing Phenol and Cyclohexanone ADH1C, PDK4, CYP2J2 KDM1A 371/4885KCNH2 1167/4885HRH3 285/4885

“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.