SCHEMBL10106319

SCHEMBL10106319

CC(C)c1cccc(C(c2cc(C=O)ccc2O)c2cc(C=O)ccc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TYR P14679 4/20 0.45
ALOX12 P18054 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 2/20 0.45
MDM4 O15151 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CA5A P35218 1/20 0.45
HDAC4 P56524 1/20 0.45
MDM2 Q00987 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL10106334 0.85 KDM4E (0.43) ALDH1A1KDM4EHPGDTDP1HTT
SCHEMBL10106351 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTDP1SMN1; SMN2
SCHEMBL7074379 0.83 KDM4E (0.50) ALDH1A1KDM4EHPGDTDP1PTGS2
SCHEMBL10106363 0.82 GABRA1 (0.40) ALDH1A1TYRALOX12KDM4EHPGD
SCHEMBL10106344 0.82 RAB9A (0.43) ALDH1A1KDM4EHPGDTDP1MAPT
SCHEMBL10106338 0.82 ALDH1A1 (0.48) ALDH1A1TYRKDM4EHPGDTDP1
SCHEMBL10106450 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDTDP1HTT
SCHEMBL10106385 0.82 ALDH1A1 (0.44) ALDH1A1ALOX12KDM4EHPGDTDP1
SCHEMBL10106416 0.82 KDM4E (0.40) ALDH1A1TYRKDM4EHPGDTDP1
SCHEMBL10119404 0.81 PTGS2 (0.39) ALDH1A1KDM4EHPGDTDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML ALDH1A1 3369/4885TYR 2655/4885ALOX12 1127/4885

“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.