SCHEMBL3346616

SCHEMBL3346616

NC(=O)NCCCC(O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
TET2 Q6N021 3/20 0.41
KDM4A O75164 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
TET3 O43151 1/20 0.41
C3AR1 Q16581 1/20 0.40
OTC P00480 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
DDAH1 O94760 1/20 0.36
OR51E2 Q9H255 1/20 0.36
BCAT2 O15382 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TBXAS1 P24557 1/20 0.33
SHMT1 P34896 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
SCHEMBL3347293 1.00 GPR84 (0.45) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL11240271 0.94 GPR84 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL3351368 0.84 GPR84 (0.42) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL28586986 0.84 GPR84 (0.42) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL11229239 0.84 GPR84 (0.42) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL18125979 0.83 GPR84 (0.48) GPR84FFAR1TET2KDM4AKDM4C
SCHEMBL26525742 0.80 C3AR1 (0.37) C3AR1OTCMEN1GAAKMT2A
L-Citrulline SCHEMBL319675 0.79 OTC (0.48) OTCMEN1KMT2ADDAH1SMN1; SMN2
L-Citrulline SCHEMBL31672873 0.79 OTC (0.48) OTCMEN1KMT2ADDAH1SMN1; SMN2
L-Citrulline SCHEMBL319676 0.79 OTC (0.48) OTCMEN1KMT2ADDAH1SMN1; SMN2

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 12 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
US-8883720-B2 Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-11-11 US disclosed
US-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2011-12-22 US disclosed
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 WO disclosed
EP-1326993-B1 PRODUCTION OF ALPHA-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM EXCELSYN MOLECULAR DEV LTD (GB) 2007-05-23 EP disclosed
US-20040053382-A1 Production of alpha-hydroxy-carboxylic acids using a coupled enzyme system EXCELSYN MOLECULAR DEVELOPMENT LIMITED (GB) 2004-03-18 US disclosed
EP-1326993-A2 PRODUCTION OF g(a)-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU Services, Inc. (US) 2003-07-16 EP disclosed
WO-2002033110-A2 PRODUCTION OF α-HYDROXY-CARBOXYLIC ACIDS USING A COUPLED ENZYME SYSTEM PCBU SERVICES, INC. (US) 2002-04-25 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 (4 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-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY CXCL12, CXCR4, CXCR1 GPR84 112/4885FFAR1 474/4885TET2 4292/4885
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.