SCHEMBL620134

SCHEMBL620134

O=C(CCCO)NCCCO

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
CNR1 P21554 3/20 0.53
TSHR P16473 1/20 0.50
DNM1 Q05193 1/20 0.47
CASP2 P42575 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CAMK2A Q9UQM7 1/20 0.43

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
SCHEMBL6940499 0.95 NAAA (0.54) NAAACNR1TSHRDNM1CASP2
SCHEMBL9717404 0.95 TSHR (0.56) NAAACNR1TSHRDNM1CASP2
SCHEMBL14984046 0.92 NAAA (0.63) NAAACNR1TSHRDNM1CASP2
SCHEMBL14984043 0.92 NAAA (0.57) NAAACNR1TSHRDNM1CASP2
SCHEMBL21559869 0.92 NAAA (0.50) NAAACNR1TSHRDNM1CASP2
SCHEMBL9717412 0.92 NAAA (0.56) NAAACNR1TSHRDNM1CASP2
SCHEMBL9754512 0.90 NAAA (0.55) NAAACNR1TSHRDNM1CASP2
SCHEMBL12834799 0.90 NAAA (0.65) NAAACNR1TSHRDNM1CASP2
SCHEMBL679044 0.90 CNR1 (0.52) NAAACNR1FAAHMEN1KMT2A
SCHEMBL7776009 0.88 CNR1 (0.49) NAAACNR1TSHRDNM1CASP2

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4549010-A Bioerodible poly(ortho ester) thermoplastic elastomer from diketene diacetal MERCK & CO., INC. (US) 1985-10-22 US claimed
US-20230219881-A1 Synthesis of Spermidine, Spermine, and Free Bases Thereof Compound Solutions Inc. (US) 2023-07-13 US disclosed
US-20230219881-A1 Synthesis of Spermidine, Spermine, and Free Bases Thereof Compound Solutions Inc. (US) 2023-07-13 US disclosed
US-20210252156-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERON THERAPEUTICS INC (US) 2021-08-19 US disclosed
EP-3834817-A1 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS Heron Therapeutics, Inc. (US) 2021-06-16 EP disclosed
US-20200405866-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERON THERAPEUTICS, INC. 2020-12-31 US disclosed
EP-3424492-B1 SEMI-SOLID DELIVERY VECHICLE AND PHARMACEUTICAL COMPOSITIONS HERON THERAPEUTICS INC (US) 2020-05-27 EP disclosed
US-10357570-B2 Methods of treating nausea utilizing semi-solid delivery vehicle compositions comprising granisetron HERON THERAPEUTICS, INC. (US) 2019-07-23 US disclosed
EP-3424492-A1 SEMI-SOLID DELIVERY VECHICLE AND PHARMACEUTICAL COMPOSITIONS Heron Therapeutics, Inc. (US) 2019-01-09 EP disclosed
US-20180339052-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON HERCULES CAPITAL, INC., AS AGENT 2018-11-29 US disclosed
US-20020176844-A1 Bioerodible polyorthoesters containing hydrogen bonding groups AP PHARMA, INC. 2002-11-28 US disclosed
WO-2002092061-A1 BIORODIBLE POLY(ORTHOESTERS) FROM DIOXOLANE-BASED DIKETENE ACETALS A.P. PHARMA, INC. (US) 2002-11-21 WO disclosed
WO-2002092655-A1 BIOERODIBLE POLY(ORTHOESTERS) CONTAINING HYDROGEN BONDING GROUPS A.P. PHARMA, INC. (US) 2002-11-21 WO disclosed
US-20020168336-A1 Bioerodible polyorthoesters from dioxolane-based diketene acetals HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2002-11-14 US disclosed
US-20020037300-A1 Semi-solid delivery vehicle and pharmaceutical compositions HERON THERAPEUTICS, INC. (F/K/A A.P. PHARMA, INC.) 2002-03-28 US disclosed
WO-2001085139-A2 SEMI-SOLID DELIVERY VEHICLE AND PHARMACEUTICAL COMPOSITIONS ADVANCED POLYMER SYSTEMS, INC. (US) 2001-11-15 WO disclosed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed
US-4549010-A Bioerodible poly(ortho ester) thermoplastic elastomer from diketene diacetal MERCK & CO., INC. (US) 1985-10-22 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 (8 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-20020037300-A1 Semi-solid delivery vehicle and pharmaceutical compositions LIPA, CEL, SORD NAAA 4009/4885CNR1 2847/4885TSHR 4120/4885
US-20200405866-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 NAAA 1440/4885CNR1 151/4885TSHR 2469/4885
US-20020176844-A1 Bioerodible polyorthoesters containing hydrogen bonding groups PLOD3, HAO2, CD44 NAAA 3230/4885CNR1 4631/4885TSHR 2763/4885
US-20210252156-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 NAAA 1440/4885CNR1 151/4885TSHR 2469/4885
US-10357570-B2 Methods of treating nausea utilizing semi-solid delivery vehicle compositions comprising granisetron LPXN, CRH, NTSR1 NAAA 1440/4885CNR1 151/4885TSHR 2469/4885
US-20180339052-A1 METHODS OF TREATING NAUSEA UTILIZING SEMI-SOLID DELIVERY VEHICLE COMPOSITIONS COMPRISING GRANISETRON LPXN, CRH, NTSR1 NAAA 1440/4885CNR1 151/4885TSHR 2469/4885
US-20230219881-A1 Synthesis of Spermidine, Spermine, and Free Bases Thereof SRM, SMS, SMOX NAAA 222/4885CNR1 4679/4885TSHR 3458/4885
US-20020168336-A1 Bioerodible polyorthoesters from dioxolane-based diketene acetals HAAO, HAO2, HAO1 NAAA 1714/4885CNR1 3654/4885TSHR 3700/4885

“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.