SCHEMBL16583203

SCHEMBL16583203

C=CC(O)CCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALOX15 P16050 7/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.37
UGT1A1 P22309 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL26748242 0.90 KMT2A (0.59) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL29169689 0.81 ALOX15 (0.52) TSHRALOX15ALDH1A1KMT2AKDM4E
SCHEMBL15372492 0.80 BTN3A1 (0.39) ALOX15ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL16611065 0.77 KDM1A (0.33) ALOX15ALDH1A1KMT2A
SCHEMBL16611063 0.77 KDM1A (0.33) ALOX15ALDH1A1KMT2A
Beta-Citronellene SCHEMBL21872 0.76 ALOX15 (0.50) TSHRALOX15ALDH1A1KMT2A
Beta-Citronellene SCHEMBL2456981 0.76 ALOX15 (0.50) TSHRALOX15ALDH1A1KMT2A
Beta-Citronellene SCHEMBL7808244 0.76 ALOX15 (0.50) TSHRALOX15ALDH1A1KMT2A
SCHEMBL29120332 0.75
SCHEMBL30999495 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087723-A1 MICROBIAL COMPOSITION ROHM AND HAAS COMPANY (US) 2015-03-26 US claimed

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-20150087723-A1 MICROBIAL COMPOSITION CD14, MYD88, TLR4 TSHR 4210/4885ALOX15 291/4885ALDH1A1 427/4885

“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.