SCHEMBL3598006

SCHEMBL3598006

COC(=O)NCc1ccc(O)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.53
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.47
F13A1 P00488 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
PTPN7 P35236 1/20 0.45
DUSP3 P51452 1/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MMP3 P08254 1/20 0.44
MTOR P42345 1/20 0.44
MIF P14174 1/20 0.43
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL29094269 0.98 TSHR (0.59) TSHRSMN1; SMN2CA1CA2ALDH1A1
SCHEMBL7252186 0.92 TSHR (0.69) TSHRSMN1; SMN2ALDH1A1
SCHEMBL10117993 0.84 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3598004 0.84 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL9089060 0.82 TRPV1 (0.45) TSHRCA1CA2KDM4EF13A1
SCHEMBL2721206 0.82 ALDH1A1 (0.65) TSHRSMN1; SMN2ALDH1A1
SCHEMBL19321442 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL3006709 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3609489 0.82 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2755804 0.82 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250087-A A kind of synthetic method of 4- isobutoxies benzylamine 常州大学 2018-07-06 CN claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
US-20260090547-A1 BIO-INSECTICIDES FROM WASTE BIOMASS UNIVERSITY OF DELAWARE (US) 2026-04-02 US disclosed
WO-2025015272-A2 BIO-INSECTICIDES FROM WASTE BIOMASS UNIVERSITY OF DELAWARE (US) 2025-01-16 WO disclosed
CN-108250087-A A kind of synthetic method of 4- isobutoxies benzylamine 常州大学 2018-07-06 CN disclosed
CN-104961672-B A kind of synthetic method of the tartrate of N (4 luorobenzyl) N (base of 1 methyl piperidine 4) N ' (4 isobutoxy benzyl) urea 沈阳药科大学 2017-10-20 CN disclosed
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative MICROBIAL CHEMISTRY RESEARCH FOUNDATION 2012-01-19 US disclosed
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP disclosed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
US-5464617-A 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics HOFFMANN-LA ROCHE INC. (US) 1995-11-07 US disclosed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP 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 (4 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-20260090547-A1 BIO-INSECTICIDES FROM WASTE BIOMASS PTMS, DDT, BCHE TSHR 365/4885SMN1; SMN2 3070/4885CA1 3084/4885
US-20120015896-A1 Anti-Penicillin Resistant Pneumococci Agent and Novel 16-Membered Macrolide Derivative PWWP2B, BRWD1, BAZ1A TSHR 3833/4885SMN1; SMN2 3529/4885CA1 4760/4885
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK TSHR 2079/4885SMN1; SMN2 4432/4885CA1 2194/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 TSHR 3647/4885SMN1; SMN2 4329/4885CA1 3859/4885

“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.