SCHEMBL11225864

SCHEMBL11225864

O=C(O)C(O)Cc1cc(I)c(O)c(I)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.55
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
KDM6B O15054 1/20 0.53
THRB P10828 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
PPARG P37231 5/20 0.51
THRA P10827 5/20 0.51
LMNA P02545 4/20 0.51
TTR P02766 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
PDE4D Q08499 2/20 0.51
HSD17B10 Q99714 2/20 0.51
NR1I2 O75469 2/20 0.51
RXRA P19793 2/20 0.51
NR3C1 P04150 1/20 0.51
CYP1A2 P05177 1/20 0.51
HTR1A P08908 1/20 0.51

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
SCHEMBL23964667 0.81 SIRT5 (0.55) SIRT5CYP2C9CYP2C19HIF1ATHRB
SCHEMBL10024350 0.81 KDM6B (0.53) SIRT5CYP2C9CYP2C19HIF1AKDM6B
SCHEMBL11229260 0.80 KDM6B (0.72) CYP2C9HIF1AKDM6BTHRBMEN1
SCHEMBL19531503 0.80 KDM6B (0.72) CYP2C9HIF1AKDM6BTHRBMEN1
Diotyrosine SCHEMBL147579 0.79 SIRT5 (0.82) SIRT5CYP2C9THRBMEN1KMT2A
Diotyrosine SCHEMBL147578 0.79 SIRT5 (0.82) SIRT5CYP2C9THRBMEN1KMT2A
Diotyrosine SCHEMBL838215 0.79 SIRT5 (0.82) SIRT5CYP2C9THRBMEN1KMT2A
Diotyrosine SCHEMBL1741366 0.78 SIRT5 (0.79) SIRT5CYP2C9THRBMEN1KMT2A
Diotyrosine SCHEMBL14484740 0.78 SIRT5 (0.79) SIRT5CYP2C9THRBMEN1KMT2A
Diotyrosine SCHEMBL31135680 0.78 SIRT5 (0.79) SIRT5CYP2C9THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 US claimed
US-20230159979-A1 TRANSDUCERS, NANOPARTICLE TRANSDUCER DEVICES AND SYSTEMS, AND RELATED METHODS OF USE UNIVERSITY OF WASHINGTON (US) 2023-05-25 US disclosed
US-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds PCR TECHNOLOGY HOLDINGS, LC (US) 2018-11-13 US disclosed
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2016-10-06 US disclosed
EP-3068495-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS US CosmeceuTechs LLC (US) 2016-09-21 EP disclosed
WO-2015073769-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS US COSMECEUTECHS LLC (US) 2015-05-21 WO disclosed
US-4363815-A Alpha hydroxyacids, alpha ketoacids and their use in treating skin conditions YU RUEY J 1982-12-14 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-10123960-B2 Methods for treating of skin conditions with retinoid double conjugate compounds RARA, LRAT, RARG SIRT5 2288/4885CYP2C9 837/4885CYP2C19 1089/4885
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA SIRT5 2254/4885CYP2C9 527/4885CYP2C19 743/4885

“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.