SCHEMBL304464

SCHEMBL304464

CCOC(=O)CCCCCC(C)(C(C)=O)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DGKA P23743 1/20 0.41
USP2 O75604 1/20 0.38

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
SCHEMBL9263994 0.93 CYP1A2 (0.47) CYP4F2CYP4A11HTTCYP1A2GAA
SCHEMBL1406283 0.84 CYP1A2 (0.52) CYP4F2CYP4A11CYP1A2GAATHRB
SCHEMBL26201486 0.84 DGKA (0.42) CYP4F2CYP4A11HTTCYP1A2GAA
SCHEMBL25697482 0.84 TSHR (0.44) CYP4F2CYP4A11HTTCYP1A2GAA
SCHEMBL10001105 0.83 MEN1 (0.54) CYP4F2CYP4A11HTTTHRBPKM
SCHEMBL10001106 0.81 CYP4F2 (0.64) CYP4F2CYP4A11HTTCYP1A2THRB
SCHEMBL14809522 0.81 CYP4F2 (0.69) CYP4F2CYP4A11HTTCYP1A2GAA
SCHEMBL14890704 0.81 CYP4F2 (0.69) CYP4F2CYP4A11HTTCYP1A2GAA
SCHEMBL13084351 0.81 MEN1 (0.47) CYP4F2CYP4A11HTTCYP1A2GAA
SCHEMBL1714877 0.81 CYP4F2 (0.46) CYP4F2CYP4A11HTTTHRBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2618849-B1 MULTIVALENT FLUORESCENT PROBES CALIPER LIFE SCIENCES INC (US) 2020-10-21 EP disclosed
EP-2850061-B1 HALOGENATED INDOLE DERIVATIVES FOR PHOTODYNAMIC THERAPY NANOQUANTUM SCIENCES INC (US) 2020-09-16 EP disclosed
US-10294204-B2 Fluorescence compounds and preparation method thereof BIOACTS CO., LTD. (KR) 2019-05-21 US disclosed
US-20180203015-A1 DYE COMPOUNDS SFC CO., LTD. (KR) 2018-07-19 US disclosed
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF BIOACTS CO., LTD. (KR) 2017-11-02 US disclosed
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF BIOACTS CO., LTD. (KR) 2017-11-02 US disclosed
US-9572881-B2 Halogenated compounds for photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2017-02-21 US disclosed
US-9572881-B2 Halogenated compounds for photodynamic therapy NANOQUANTUM SCIENCES, INC. (US) 2017-02-21 US disclosed
WO-2017010852-A1 DYE COMPOUND 에스에프씨 주식회사 2017-01-19 WO disclosed
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2016-12-08 US disclosed
US-20040166515-A1 Luminescent compounds TERPETSCHNIG, EWALD A. 2004-08-26 US disclosed
US-6740755-B2 REACTING FIRST QUATERNISED INDOLENINE WITH AN IMINE COMPOUND IN A SOLVENT SELECTED FROM ACETIC ACID, ACETIC ANHYDRIDE AND MIXTURES THEREOF, FURTHER REACTING INTERMEDIATE HEMICYANINE WITH QUATERNIZED INDOLINE VISEN MEDICAL, INC. 2004-05-25 US disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 WO disclosed
EP-1322710-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Molecular Probes Inc. (US) 2003-07-02 EP disclosed
US-20020077487-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-06-20 US disclosed
EP-1211294-A1 Improved process and method for the preparation of asymmetric monofunctionalised indocyanine labelling reagents and obtained compounds Innosense S.r.l. (IT) 2002-06-05 EP disclosed
US-20020064794-A1 Modified carbocyanine dyes and their conjugates MOLECULAR PROBES, INC. 2002-05-30 US disclosed
US-20020065421-A1 Process and method for the preparation of asymmetric monfunctionalised indocyanine labelling reagents and obtained compounds VISEN MEDICAL, INC. 2002-05-30 US disclosed
EP-1209205-A1 Improved process and method for the preparation of asymetric monofunctionalised indocyanine labelling reagents and obtained compounds Innosense S.r.l. (IT) 2002-05-29 EP disclosed
WO-2002026891-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES MOLECULAR PROBES, INC. (US) 2002-04-04 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 (6 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-20020077487-A1 Modified carbocyanine dyes and their conjugates IK, CBR3, DRD5 CYP4F2 1103/4885CYP4A11 1937/4885HTT 1394/4885
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 CYP4F2 1103/4885CYP4A11 1937/4885HTT 1394/4885
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF CDY1; CDY1B, CYP2F1, CYP4F11 CYP4F2 9/4885CYP4A11 300/4885HTT 2540/4885
US-10294204-B2 Fluorescence compounds and preparation method thereof CDY1; CDY1B, CYP2F1, CYP4F11 CYP4F2 9/4885CYP4A11 300/4885HTT 2540/4885
US-20020065421-A1 Process and method for the preparation of asymmetric monfunctionalised indocyanine labelling reagents and obtained compounds IDO1, IDO2, AADAT CYP4F2 596/4885CYP4A11 1338/4885HTT 488/4885
US-20040166515-A1 Luminescent compounds RORC, NR2E3, RORB CYP4F2 1439/4885CYP4A11 2389/4885HTT 3369/4885

“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.