SCHEMBL1855103

SCHEMBL1855103

CC(C)(C)c1c(Br)cccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.46
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 4/20 0.43
FABP4 P15090 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
MMP1 P03956 1/20 0.38

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
SCHEMBL161622 0.86 ALOX15 (0.53) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5322100 0.85 PRNP (0.44) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL28064460 0.84 ALOX15 (0.52) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19950528 0.81 TAS2R14 (0.46) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL30070392 0.81 TAS2R14 (0.46) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL29393947 0.80 SLC7A5 (0.42) ALDH1A1KDM4EHPGDKMT2ATSHR
Terephthalic Acid SCHEMBL11573174 0.78 SRD5A2 (0.50) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29678146 0.78 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL273494 0.78 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8849607 0.78 ALDH1A1 (0.54) ALOX15ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023057548-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-13 WO disclosed
WO-2023049438-A1 GRK2 INHIBITORS AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-03-30 WO disclosed
WO-2023022234-A1 HUMAN TRANSFERRIN RECEPTOR–BINDING PEPTIDE ペプチドリーム株式会社 2023-02-23 WO disclosed
CN-114044905-B Preparation method of end-group functionalized polydimethylsiloxane 复旦大学 2023-01-06 CN disclosed
CN-114044905-A Preparation method of end group functionalized polydimethylsiloxane 复旦大学 2022-02-15 CN disclosed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
US-7399504-B2 Method of preparing an insoluble polymer film on a substrate from a soluble polymer containing labile solubilizing groups DOW GLOBAL TECHNOLOGIES INC. (US) 2008-07-15 US disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US disclosed
US-20050106324-A1 Method of preparing an insoluble polymer film on a substrate from a soluble polymer containing labile solubilizing groups DOW GLOBAL TECHNOLOGIES LLC 2005-05-19 US disclosed
WO-2005036666-A2 METHOD OF PREPARING AN INSOLUBLE POLYMER FILM ON A SUBSTRATE FROM A SOLUBLE POLYMER CONTAINING LABILE SOLUBILIZING GROUPS DOW GLOBAL TECHNOLOGIES INC. (US) 2005-04-21 WO disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 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 (1 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-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 PRNP 4748/4885ALOX15 2503/4885ALDH1A1 3733/4885

“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.