SCHEMBL4170441

SCHEMBL4170441

O=CCCCCCc1ccc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
HIF1A Q16665 9/20 0.35
EPAS1 Q99814 9/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL16516482 1.00 GPR84 (0.39) GPR84HIF1AEPAS1TSHR
SCHEMBL28715741 0.92 HIF1A (0.35) GPR84HIF1ATSHR
SCHEMBL10894191 0.84
SCHEMBL16135279 0.81 TDP1 (0.46) GPR84TSHR
SCHEMBL6687767 0.79 GPR84 (0.42) GPR84
SCHEMBL30487869 0.77 GPR84 (0.50) GPR84HIF1AEPAS1
SCHEMBL1994858 0.76 ADH1B (0.36) GPR84
SCHEMBL6684198 0.76 GPR84 (0.39) GPR84
SCHEMBL28269903 0.76 EPHX2 (0.50) TSHR
SCHEMBL16135286 0.75 HIF1A (0.49) GPR84HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104361812-B Cyclohexanone-oxime synthesis and practical training device for teaching and training 南京化工职业技术学院 2017-02-22 CN 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-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-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-20120244551-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 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-8187824-B2 Porphyrinic compounds for use in flow cytometry NORTH CAROLINA STATE UNIVERSITY (US) 2012-05-29 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
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 (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-20090227553-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, HCCS GPR84 1796/4885HIF1A 573/4885EPAS1 843/4885
US-20120245508-A1 SYNTHESIS OF CHLORINS AND PHORBINES WITH ENHANCED RED SPECTRAL FEATURES CRY1, CRY2, QDPR GPR84 1757/4885HIF1A 596/4885EPAS1 841/4885

“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.