SCHEMBL6897302

SCHEMBL6897302

CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
ATP2A2 P16615 1/20 0.35
ATP2A3 Q93084 1/20 0.35
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
TYR P14679 1/20 0.31
TP53 P04637 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
SCHEMBL14506378 0.75 ALDH1A1 (0.36) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL820796 0.75 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1ALOX15
SCHEMBL26713933 0.75 LMNA (0.31)
SCHEMBL6901506 0.70 MEN1 (0.37) MEN1KMT2AL3MBTL1ALDH1A1ALOX15
SCHEMBL7619043 0.67 ALOX15 (0.43) MEN1KMT2AL3MBTL1ALDH1A1ALOX15
SCHEMBL20798945 0.67 ALDH1A1 (0.41) ALDH1A1ALOX15SMN1; SMN2KDM4ECYP1A2
SCHEMBL16282711 0.67 ALOX15 (0.47) MEN1KMT2AL3MBTL1ALDH1A1ALOX15
SCHEMBL14788303 0.63 MEN1 (0.39) MEN1KMT2AL3MBTL1ALDH1A1ALOX15
SCHEMBL10787662 0.63 ALOX15 (0.44) MEN1KMT2AL3MBTL1ALDH1A1ALOX15
SCHEMBL21718793 0.62 MEN1 (0.34) MEN1KMT2AL3MBTL1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216970-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-22 US disclosed
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-04-16 US disclosed
US-8946233-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-02-03 US disclosed
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-05-15 US disclosed
US-8664227-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2014-03-04 US disclosed
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2013-10-10 US disclosed
US-8481549-B2 Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents THERAVANCE, INC. (US) 2013-07-09 US disclosed
US-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-07-21 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 (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-20110178101-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 MEN1 2918/4885KMT2A 3201/4885L3MBTL1 4668/4885
US-20140135333-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 MEN1 2918/4885KMT2A 3201/4885L3MBTL1 4668/4885
US-20130267539-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 MEN1 2918/4885KMT2A 3201/4885L3MBTL1 4668/4885
US-20150105392-A1 DUAL-ACTING THIOPHENE, PYRROLE, THIAZOLE AND FURAN ANTIHYPERTENSIVE AGENTS REN, AGTR1, AGTR2 MEN1 2918/4885KMT2A 3201/4885L3MBTL1 4668/4885

“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.