SCHEMBL7871772

SCHEMBL7871772

CCCCCCCCCCCCOC(=O)OC(C)Cl

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.43
FAAH O00519 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 5/20 0.42

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
SCHEMBL7774471 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL7860524 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL1783419 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL5615669 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL21060940 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL31112385 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL27572350 0.98 NAAA (0.48) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10662861 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL3405733 0.92 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2LMNA
SCHEMBL31112146 0.86 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214472-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES, PVT. LTD. (IN) 2018-08-02 US disclosed
US-9907812-B2 Conjugate-based antifungal and antibacterial prodrugs VYOME BIOSCIENCES PVT. LTD. (IN) 2018-03-06 US disclosed
US-20140364595-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES (IN) 2014-12-11 US disclosed
US-20140243391-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 US disclosed
US-20140243391-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 US disclosed
EP-2734531-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF Université de Strasbourg (FR) 2014-05-28 EP disclosed
EP-2723452-A2 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS Vyome Biosciences Pvt Ltd (IN) 2014-04-30 EP disclosed
WO-2013014073-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2013-01-31 WO disclosed
WO-2012177986-A2 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS VYOME BIOSCIENCES (IN) 2012-12-27 WO disclosed
US-8314230-B2 Cyclodextrin-based polymers for therapeutics delivery CERULEAN PHARMA INC. (US) 2012-11-20 US disclosed
EP-0808315-B1 CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES WYETH LEDERLE JAPAN LTD (JP) 2001-04-04 EP disclosed
US-5886172-A ORAL PRODRUG READILY ABSORPED IN THE DIGESTIVE TRACT AND HYDROLYZED; BIOAVAILABIITY; STRONG ANTIBACTERIAL ACTIVITY ESPECIALLY AGAINST STAPHYLOCOCCUS; STREPTOCOCCUS, KLEBSIELLA AND PROTEUS LEDERLE (JAPAN) LTD. (JP) 1999-03-23 US disclosed
EP-0808315-A1 CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES LEDERLE (JAPAN), Ltd. (JP) 1997-11-26 EP disclosed
WO-1997021712-A1 CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES LEDERLE (JAPAN), LTD. (JP) 1997-06-19 WO 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-20180214472-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS XPO1, UGT1A1, UGT1A10 NAAA 98/4885EPHX1 1634/4885TSHR 4203/4885
US-20140364595-A1 CONJUGATE-BASED ANTIFUNGAL AND ANTIBACTERIAL PRODRUGS XPO1, MTX1, FUT5 NAAA 63/4885EPHX1 1507/4885TSHR 4597/4885
US-20140243391-A1 PHOSPHOLIPID-DETERGENT CONJUGATES AND USES THEREOF PHOSPHO1, ABHD16A, SMPD1 NAAA 757/4885EPHX1 649/4885TSHR 4405/4885

“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.