SCHEMBL4805583

SCHEMBL4805583

O=C(NC(O)c1ccccc1)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPT P10636 2/20 0.40
▸ ELANE P08246 4/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MMP3 P08254 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ CYP1A1 P04798 1/20 0.37

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
SCHEMBL22722197 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL22989201 0.75 KDM4E (0.49) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL12177611 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL15856051 0.73 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL29350533 0.72 HSD17B10 (0.64) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL242958 0.72 HSD17B10 (0.64) ALDH1A1KMT2AKDM4EHPGDCYP1A2
Hydrochloric Acid SCHEMBL8600808 0.71 HSD17B10 (0.62) ALDH1A1KMT2AKDM4EHPGDCYP1A2
Ammonia Solution, Strong SCHEMBL31590520 0.71 HSD17B10 (0.62) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL29537012 0.71 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL28673575 0.71 HSD17B10 (0.62) ALDH1A1KMT2AKDM4EHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7355037-B2 Thermolabile hydroxyl protecting groups and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-08 — — US disclosed
US-20050020827-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-01-27 — — US disclosed
WO-2003048179-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-12 — — WO 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-20050020827-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, NR2C2, NR1H2 ALDH1A1 200/4885KMT2A 944/4885KDM4E 2464/4885

“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.

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