SCHEMBL1815047

SCHEMBL1815047

CC(C)(C)c1cc(O)cc(C(C)(C)C)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
LMNA P02545 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL31621088 0.84 POLB (0.48) GLRA3GLRBALDH1A1CYP2C9TYR
SCHEMBL2254157 0.81 KDM4E (0.42) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL4806822 0.78 VCAM1 (0.41) GLRA3GLRBALDH1A1HSD17B10POLB
SCHEMBL68860 0.76 CYP2C9 (0.48) GLRA3GLRBALDH1A1ALOX15LMNA
Propionic Acid SCHEMBL1535102 0.76 GLRA3 (0.52) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL30885859 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL4630314 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15LMNANR1I2CYP2C9
SCHEMBL9067390 0.74 ALDH1A1 (0.39) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL2679857 0.74 ALDH1A1 (0.46) GLRA3GLRBALDH1A1ALOX15LMNA
SCHEMBL27877808 0.74 ALDH1A1 (0.46) GLRA3GLRBALDH1A1ALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580395-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2017-02-28 US disclosed
US-20150031688-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS NANOPHARMACEUTICALS, LLC 2015-01-29 US disclosed
US-8859539-B2 Compositions of dual thyrointegrin antagonists and use in vascular-associated disorders VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2014-10-14 US disclosed
US-20110105482-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS VASCULAR VISION PHARMACEUTICAL COMPANY (US) 2011-05-05 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 (2 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-20150031688-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS TEK, THRA, TSHR GLRA3 453/4885GLRB 803/4885ALDH1A1 3152/4885
US-20110105482-A1 COMPOSITIONS OF DUAL THYROINTEGRIN ANTAGONISTS AND USE IN VASCULAR-ASSOCIATED DISORDERS TEK, THRA, TSHR GLRA3 453/4885GLRB 803/4885ALDH1A1 3152/4885

“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.