SCHEMBL10146253

SCHEMBL10146253

Cc1ccc(-c2c3nc(cc4ccc([nH]4)c(C(CCBr)CCBr)c4nc(cc5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ TERT O14746 5/20 0.37
▸ TOP1 P11387 4/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ CYCS P99999 4/20 0.34
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL336198 0.91 STAT3 (0.51) STAT3STAT1TERTTOP1ABCG2
SCHEMBL3286041 0.84 STAT3 (0.64) STAT3STAT1TERTTOP1ABCG2
SCHEMBL30519987 0.84 STAT3 (0.64) STAT3STAT1TERTTOP1ABCG2
SCHEMBL8689820 0.84 STAT3 (0.68) STAT3STAT1TERTTOP1ABCG2
SCHEMBL30574153 0.83 STAT3 (0.66) STAT3STAT1TERTTOP1ABCG2
SCHEMBL30205816 0.82 STAT3 (0.64) STAT3STAT1TERTTOP1ABCG2
SCHEMBL5319095 0.82 STAT3 (0.64) STAT3STAT1TERTTOP1ABCG2
Iodide SCHEMBL27581324 0.81 STAT3 (0.63) STAT3STAT1TERTTOP1ABCG2
SCHEMBL336446 0.80 STAT3 (0.39) STAT3STAT1TOP1ABCG2CYCS
SCHEMBL17972795 0.79 STAT3 (0.57) STAT3STAT1TERTTOP1ABCG2

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 10 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-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-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-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-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
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 2300/4885TERT 2022/4885
US-20090297456-A1 SWALLOWTAIL MOTIFS FOR IMPARTING WATER SOLUBILITY TO PORPHYRINIC COMPOUNDS ALK, ACVRL1, ACVR1 STAT3 1926/4885STAT1 2247/4885TERT 2094/4885

“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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