SCHEMBL11240271

SCHEMBL11240271

NC(=O)NCCCCC(O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
TET2 Q6N021 3/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
TET3 O43151 1/20 0.40
C3AR1 Q16581 1/20 0.37
TBXAS1 P24557 2/20 0.36
FOLH1 Q04609 1/20 0.35
OR51E2 Q9H255 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
BCAT2 O15382 1/20 0.34
OTC P00480 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH1A3 P47895 1/20 0.33
GNAI3 P08754 1/20 0.33

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
SCHEMBL3346616 0.94 GPR84 (0.45) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL3347293 0.94 GPR84 (0.45) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL3351322 0.85 GPR84 (0.46) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL25329849 0.83 GPR84 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL8871251 0.80 GSR (0.55) DPP7OTC
SCHEMBL5279090 0.80 GSR (0.55) DPP7OTC
SCHEMBL56915 0.80 GSR (0.55) DPP7OTC
SCHEMBL3350620 0.80 KDM4E (0.58) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL9069162 0.80 GSR (0.55) DPP7OTC
SCHEMBL26633291 0.79 ALDH1A1 (0.40) DPP7SMN1; SMN2ALDH1A2ALDH1A1ALDH2

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-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS Dermaforce Holdings, LLC 2019-01-31 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 (3 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 GPR84 566/4885FFAR1 312/4885TET2 3046/4885
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA GPR84 846/4885FFAR1 903/4885TET2 3782/4885
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA GPR84 318/4885FFAR1 221/4885TET2 2816/4885

“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.