SCHEMBL11921769

SCHEMBL11921769

CCCCCCCCCCCCCCCCCCOC(=O)C(Cc1ccc(C)c(OC#N)c1)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ S1PR2 O95136 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL16542995 0.88 LDHA (0.32) ALOX15
SCHEMBL16843145 0.87 ALDH1A1 (0.37) ALOX15ALDH1A1PPARGPPARACYP1A2
SCHEMBL16542996 0.84 ALOX15 (0.40) ESR1ALOX15ALDH1A1HPGDTSHR
SCHEMBL11921832 0.84 PLA2G4B (0.38) ALDH1A1TSHRLMNATP53
SCHEMBL18057034 0.84 MIF (0.37) ALOX15ALDH1A1TSHRMEN1KMT2A
SCHEMBL11921792 0.83 LDHA (0.34) ALOX15MEN1KMT2A
SCHEMBL11921767 0.82 LDHA (0.35) ALOX15TSHR
SCHEMBL15908126 0.81 ALDH1A1 (0.40) ESR1ALDH1A1TSHRLMNAMEN1
SCHEMBL11924842 0.80 TSHR (0.42) ALDH1A1HPGDPPARGTSHRLMNA
SCHEMBL11906628 0.76 TSHR (0.38) ESR1ALDH1A1PPARATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012677-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-04-21 — — US disclosed
US-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2015-03-05 — — US disclosed
US-8901341-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2014-12-02 — — US disclosed
US-20130245133-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC. (US) 2013-09-19 — — US disclosed
US-8461372-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC 2013-06-11 — — US disclosed
US-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL, LLC. (US) 2012-08-16 — — 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-20120208896-A1 AMINO ACID DERIVATIVES AND ABSORABLE POLYMERS THEREFROM SLC7A1, SLC3A2, BCAT2 ESR1 2000/4885ALOX15 678/4885ALDH1A1 2903/4885
US-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 ESR1 2032/4885ALOX15 674/4885ALDH1A1 3569/4885
US-20130245133-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 ESR1 2032/4885ALOX15 674/4885ALDH1A1 3569/4885

“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.

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