SCHEMBL19111144

SCHEMBL19111144

CC(C)(C)Cc1ccc(-c2ccc(CC(C)(C)C)nc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.33
PI4KA P42356 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 1/20 0.33
ESR1 P03372 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRMT5 O14744 1/20 0.31

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
SCHEMBL26941404 0.90 ESR1 (0.44) ESR1KDM4EMEN1NPC1ALDH1A1
SCHEMBL19126076 0.86
SCHEMBL26941540 0.83 BRS3 (0.42) ESR1MCHR1BRS3KCNH2
SCHEMBL17185813 0.82 SCN10A (0.48) KIF11KCNH2SCN10A
SCHEMBL10103887 0.80 CCR1 (0.44) ESR1CYP2A6KDM4EALDH1A1MAPT
SCHEMBL10223944 0.80 ESR1 (0.45) ESR1ALDH1A1BRS3
SCHEMBL2611199 0.78 RAB9A (0.37) ESR1KDM4ENPC1ALDH1A1MAPT
SCHEMBL12162565 0.78 GBA1 (0.46) ESR1KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8200445 0.78 ESR1 (0.30) ESR1
SCHEMBL10245078 0.78 TRPA1 (0.37) SCN10A

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-9931379-B2 Oxyntomodulin analogs and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-04-03 US disclosed
US-9931379-B2 Oxyntomodulin analogs and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-04-03 US disclosed
US-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
US-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 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 (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-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME PTMS, OGFRL1, SHBG PIK3CA 4839/4885PI4KA 4878/4885PI4KB 4859/4885

“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.