SCHEMBL3918593

SCHEMBL3918593

CC(C)CCC(O)C(C)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
CA1 P00915 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL18533728 0.89 ALDH1A1 (0.39) TSHRTRPV1TRPA1LMNATDP1
SCHEMBL106523 0.86 TSHR (0.38) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL108106 0.80 TSHR (0.33) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL16139789 0.80 TSHR (0.33) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL2251724 0.80 TSHR (0.39) TSHRTRPV1TRPA1LMNATDP1
SCHEMBL16139792 0.80 TSHR (0.33) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL28634106 0.79 TRPV1 (0.52) TRPV1TRPA1LMNA
SCHEMBL31456916 0.79 TRPV1 (0.52) TRPV1TRPA1LMNA
SCHEMBL8059255 0.75 TRPV1 (0.31) TSHRCA1TRPV1TRPA1
SCHEMBL5175266 0.75 TSHR (0.42) TSHRCA1TRPV1TRPA1LMNA

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-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2018-06-28 US disclosed
US-9896435-B2 N-pyrrolidinyl,N′-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-02-20 US disclosed
US-9878997-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-01-30 US disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 US disclosed
US-9790178-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 US disclosed
US-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-13 US disclosed
US-20160280682-A1 N-PYRROLIDINYL,N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 US disclosed
CN-101889092-A Biofuel production BIO ARCHITECTURE LAB INC 2010-11-17 CN disclosed
US-7723379-B2 Methods of manufacture and combination compositions MARS, INCORPORATED (US) 2010-05-25 US disclosed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 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 (6 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-20160297796-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP TSHR 177/4885CA1 3401/4885TRPV1 443/4885
US-20180179182-A1 METHODS OF TREATMENT USING PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS RNMT, MTAP, GMPS TSHR 810/4885CA1 3027/4885TRPV1 1378/4885
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK TSHR 190/4885CA1 4584/4885TRPV1 714/4885
US-20160297758-A1 PYRROLIDINYL UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TYMP TSHR 197/4885CA1 3507/4885TRPV1 506/4885
US-20160280682-A1 N-PYRROLIDINYL,N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, CNKSR1, EDNRA TSHR 79/4885CA1 3747/4885TRPV1 479/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK TSHR 190/4885CA1 4584/4885TRPV1 714/4885

“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.