SCHEMBL12054841

SCHEMBL12054841

CC[C@H](O)C[C@@H](O)[C@H](O)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
REN P00797 5/20 0.37
SHBG P04278 1/20 0.34
METAP2 P50579 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL7328910 0.84 REN (0.52) ALDH1A1KMT2ARENMETAP2CYP1A2
SCHEMBL7326084 0.84 REN (0.52) ALDH1A1KMT2ARENMETAP2CYP1A2
SCHEMBL12036061 0.84 REN (0.40) ALDH1A1KMT2ARENSHBGMETAP2
Hydrochloric Acid SCHEMBL7324277 0.82 REN (0.51) ALDH1A1KMT2ARENMETAP2CYP1A2
SCHEMBL6145227 0.81 SHBG (0.41) ALDH1A1KMT2ARENSHBGMETAP2
SCHEMBL6662787 0.81 SHBG (0.41) ALDH1A1KMT2ARENSHBGMETAP2
SCHEMBL13169085 0.81 TP53 (0.39) RENKDM4E
SCHEMBL21409652 0.79 SHBG (0.37) ALDH1A1KMT2ARENSHBGMETAP2
SCHEMBL1105462 0.79 SHBG (0.37) ALDH1A1KMT2ARENSHBGMETAP2
SCHEMBL7327138 0.76 REN (0.47) ALDH1A1KMT2AREN

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-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-22 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-20110312904-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING TOXICITY AND TREATING OR PREVENTING DISEASES TUBA1C, TUBB1, TOP1 ALDH1A1 1989/4885KMT2A 3420/4885REN 2925/4885

“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.