SCHEMBL5573692

SCHEMBL5573692

CCc1cc(C(C)c2nc3ccccc3o2)c(=O)[nH]c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 2/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 2/20 0.35
ELANE P08246 3/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 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
SCHEMBL9846226 0.84 PIK3CD (0.36) ELANETP53ALDH1A1GLAL3MBTL1
SCHEMBL5573693 0.74 MAPT (0.54) MAPTLMNAGAATDP1ALOX15
SCHEMBL9265244 0.72 APP (0.44) MAPTRAB9ANPC1HDAC3HDAC4
SCHEMBL9432422 0.72 ELANE (0.48) MAPTLMNAGAATDP1RAB9A
SCHEMBL2147325 0.72 MAPT (0.48) MAPTLMNAGAATDP1ALOX15
SCHEMBL9846349 0.71 MAPT (0.50) MAPTLMNAGAATDP1ALOX15
SCHEMBL9281450 0.71 RAB9A (0.41) MAPTLMNAGAATDP1ALOX15
SCHEMBL9431759 0.71 RAB9A (0.41) MAPTLMNAGAATDP1RAB9A
SCHEMBL9268706 0.70 RAB9A (0.48) MAPTLMNARAB9AELANETP53
SCHEMBL9431768 0.67 MAPT (0.54) MAPTLMNARAB9AELANETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673830-B2 COMPOUNDS FROM PLANTS OF THE GENUS CALOPHYLLUM, METHODS OF EXTRACTION AND USE AS TREATMENT FOR HUMAN IMMUMODEFICIENCY VIRUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES 2004-01-06 US claimed
US-7211603-B1 Enediyne compounds and methods related thereto INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2007-05-01 US disclosed
US-6987132-B1 Enediyne compounds and methods related thereto ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2006-01-17 US disclosed
US-6828439-B1 Compounds, composition, and methods for photodynamic therapy ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2004-12-07 US disclosed
US-6774141-B1 INHIBIT REPLICATION OF RETROVIRUSES SUCH AS LYMPHADENOPATHY ASSOCIATED-, HUMAN IMMUNODEFICIENCY, AND HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUSES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES 2004-08-10 US disclosed
US-6673830-B2 COMPOUNDS FROM PLANTS OF THE GENUS CALOPHYLLUM, METHODS OF EXTRACTION AND USE AS TREATMENT FOR HUMAN IMMUMODEFICIENCY VIRUS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES 2004-01-06 US disclosed
US-6514995-B1 Metal complex is capable of forming a benzenoid diradical under physiological conditions and/or under photothermal conditions ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. 2003-02-04 US disclosed
US-20020086898-A1 Calanolide and related antiviral compounds, compositions, and uses thereof BOYD MICHAEL R (US) 2002-07-04 US disclosed
EP-0699202-B1 CALANOLIDE AND RELATED ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF US HEALTH (US) 1999-02-03 EP disclosed
US-5859049-A ANTIHEPATITIS B COMPRISING CALANOLIDE A AND B, DIHYDROCALANOLIDE A AND B, COSTATOLIDE, DIHYDROCOSTATOLIDE, SOULATTROLIDE, AND DIHYDROSOULATTROLIDE. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-01-12 US disclosed
US-5591770-A TREATING HUMAN T-CELL LYMPHOMA/LEUKEMIA INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-01-07 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-20020086898-A1 Calanolide and related antiviral compounds, compositions, and uses thereof ZC3HAV1, RPL35, ZC3HAV1L MAPT 2373/4885LMNA 4249/4885POLB 957/4885

“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.