SCHEMBL8972140

SCHEMBL8972140

CC(=O)CC(C)(C)C(Cc1cc(Br)c[nH]1)[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 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
SCHEMBL3017748 0.77
SCHEMBL12163625 0.71
SCHEMBL18471495 0.68 ALDH1A1 (0.34)
SCHEMBL8972077 0.66 CA1 (0.33)
SCHEMBL10232299 0.61
SCHEMBL4176610 0.61 ALDH1A1 (0.33) CREBBP
SCHEMBL10816643 0.58 ALDH1A1 (0.42) CREBBP
SCHEMBL15176658 0.57
SCHEMBL24321548 0.56 NPSR1 (0.36) CREBBP
Acetic Acid SCHEMBL4797660 0.54 NOTUM (0.50) CREBBP

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9417245-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2016-08-16 US disclosed
US-9417245-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2016-08-16 US disclosed
US-20150153350-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-20150153350-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-06-04 US disclosed
US-8980565-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-8980565-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-8546088-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2013-10-01 US disclosed
US-8546088-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2013-10-01 US disclosed
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-02 US disclosed
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 US disclosed
US-8207329-B2 Synthesis of chlorins and phorbines with enhanced red spectral features NORTH CAROLINA STATE UNIVERSITY (US) 2012-06-26 US disclosed
US-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
US-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 US disclosed
WO-2011128299-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2011-10-20 WO disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-10 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
US-20090075295-A1 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-19 US disclosed
WO-2007064841-A2 PORPHYRINIC COMPOUNDS FOR USE IN FLOW CYTOMETRY NORTH CAROLINA STATE UNIVERSITY (US) 2007-06-07 WO 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 (3 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-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS CREBBP 4119/4885
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, QDPR CREBBP 4116/4885
US-20130109757-A1 PROCESS FOR THE PREPARATION OF PYRROLINES FROM GAMMA-NITROKETONES. USE OF THE GAMMA-NITROKETONES AS PESTICIDAL AGENTS NOS2, PDXK, GSTK1 CREBBP 4048/4885

“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.