SCHEMBL11229239

SCHEMBL11229239

N=C(N)NCCCC(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 1/20 0.42
ALOX15 P16050 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
TET3 O43151 1/20 0.39
OTC P00480 1/20 0.37
GAA P10253 1/20 0.35
DDAH1 O94760 1/20 0.35
OR51E2 Q9H255 1/20 0.33
ALB P02768 1/20 0.32

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
SCHEMBL3351368 1.00 GPR84 (0.42) GPR84FFAR1ALOX15MEN1KMT2A
SCHEMBL28586986 1.00 GPR84 (0.42) GPR84FFAR1ALOX15MEN1KMT2A
SCHEMBL3351322 0.94 GPR84 (0.46) GPR84FFAR1ALOX15MEN1KMT2A
SCHEMBL25329849 0.93 GPR84 (0.48) GPR84FFAR1ALOX15MEN1KMT2A
SCHEMBL3230889 0.88 TET2 (0.41) GPR84FFAR1ALOX15MEN1KMT2A
SCHEMBL3347293 0.84 GPR84 (0.45) GPR84FFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL3346616 0.84 GPR84 (0.45) GPR84FFAR1MEN1KMT2ASMN1; SMN2
SCHEMBL15233306 0.83 ALOX15 (0.42) ALOX15MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL6525840 0.82 ALOX15 (0.41) ALOX15MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL1118988 0.82 ALOX15 (0.41) ALOX15MEN1KMT2ASMN1; SMN2CYP1A2

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 11 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
CN-118613264-A Pharmaceutical composition comprising phthalazinone derivatives for co-administration with anticancer drugs 伊迪恩斯股份有限公司 2024-09-06 CN disclosed
CN-107299072-B Engineering bacterium and application thereof 江南大学 2020-11-06 CN disclosed
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
CN-107299072-A Engineering bacterium and application thereof 江南大学 2017-10-27 CN 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-8927773-B2 Process for the direct amination of secondary alcohols with ammonia to give primary amines EVONIK DEGUSSA GMBH (DE) 2015-01-06 US disclosed
US-20130165672-A1 PROCESS FOR THE DIRECT AMINATION OF SECONDARY ALCOHOLS WITH AMMONIA TO GIVE PRIMARY AMINES EVONIK DEGUSSA GMBH (DE) 2013-06-27 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 312/4885ALOX15 120/4885
US-20130165672-A1 PROCESS FOR THE DIRECT AMINATION OF SECONDARY ALCOHOLS WITH AMMONIA TO GIVE PRIMARY AMINES ADH1C, ADH5, ADH1A GPR84 3232/4885FFAR1 640/4885ALOX15 1382/4885
US-20190029941-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA GPR84 846/4885FFAR1 903/4885ALOX15 576/4885
US-20160287507-A1 RETINOID DOUBLE CONJUGATE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS FOR TREATING OF SKIN CONDITIONS RARA, RARG, RXRA GPR84 318/4885FFAR1 221/4885ALOX15 175/4885

“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.