SCHEMBL336446

SCHEMBL336446

CC(C)(C)OC(=O)COc1ccc(-c2c3nc(cc4ccc([nH]4)c(C(CCBr)CCBr)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.39
▸ STAT1 P42224 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.35
▸ TOP1 P11387 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CYCS P99999 4/20 0.33
▸ PTPN1 P18031 2/20 0.31
▸ ENPP2 Q13822 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 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
SCHEMBL336614 0.89 STAT3 (0.36) STAT3STAT1GPR119TOP1CNR1
SCHEMBL10146253 0.80 STAT3 (0.50) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL336198 0.79 STAT3 (0.51) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL336231 0.78 STAT3 (0.43) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL336723 0.77 STAT3 (0.42) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL337060 0.77 STAT3 (0.40) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL585086 0.73 STAT3 (0.55) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL336440 0.71 STAT3 (0.46) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL336271 0.71 STAT3 (0.43) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL336654 0.71 STAT3 (0.43) STAT3STAT1TOP1ABCG2CYCS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140106367-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2014-04-17 — — US disclosed
US-8530459-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2013-09-10 — — US disclosed
US-20120082621-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-04-05 — — US disclosed
US-8097609-B2 Swallowtail motifs for imparting water solubility to porphyrinic compounds NORTH CAROLINA STATE UNIVERSITY (US) 2012-01-17 — — US disclosed
US-20090297456-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-03 — — 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-20120082621-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS ALK, ACVRL1, ACVR1 STAT3 2034/4885STAT1 2300/4885GPR119 1744/4885
US-20090297456-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS ALK, ACVRL1, ACVR1 STAT3 1926/4885STAT1 2247/4885GPR119 1613/4885

“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.

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