SCHEMBL15020977

SCHEMBL15020977

CCCCCCCCCC(CCCCCCCC(=O)Cl)C(CCCCCCCCC)CCCCCCC(Cl)(Cl)C(=O)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 1/20 0.44
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
CES2 O00748 3/20 0.36
CES1 P23141 3/20 0.36
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL1138766 0.85 TSHR (0.75) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL21183320 0.85 TSHR (0.75) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL11771263 0.82 ALDH1A1 (0.48) TSHRALDH1A1CES2
SCHEMBL11197126 0.82 ALDH1A1 (0.48) TSHRALDH1A1CES2
SCHEMBL8736384 0.82 TSHR (0.48) TSHRALDH1A1TP53
SCHEMBL8736291 0.80 ALDH1A1 (0.44) TSHRALDH1A1TP53CES2
SCHEMBL1358840 0.79 TSHR (0.64) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL11197128 0.74 ALDH1A1 (0.44) TSHRALDH1A1TP53CES2CES1
SCHEMBL517004 0.74 TSHR (1.00) TSHRALDH1A1TP53FFAR4FFAR1
SCHEMBL69357 0.74 TSHR (1.00) TSHRALDH1A1TP53FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9623345-B2 Phase selective gelation with alkylated aromatic acid compounds XEROX CORPORATION (US) 2017-04-18 US disclosed
US-9067878-B2 Organogel compositions comprising alkylated aromatic acids XEROX CORPORATION (US) 2015-06-30 US disclosed
US-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-06-20 US disclosed
US-20130153508-A1 Phase Selective Gelation With Alkylated Aromatic Acid Compounds NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-06-20 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 (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-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids F12, AHR, RXRG TSHR 1321/4885ALDH1A1 1657/4885TP53 364/4885

“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.