SCHEMBL2048935

SCHEMBL2048935

O=C(CBr)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
HSD17B10 Q99714 7/20 0.66
HPGD P15428 6/20 0.66
CYP1A2 P05177 6/20 0.66
KMT2A Q03164 5/20 0.66
KDM4E B2RXH2 4/20 0.66
POLB P06746 2/20 0.66
CYP2D6 P10635 2/20 0.66
GLA P06280 1/20 0.66
PTPN1 P18031 3/20 0.61
MEN1 O00255 4/20 0.45
HPGDS O60760 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
TSHR P16473 4/20 0.41
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ERBB2 P04626 1/20 0.39

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
SCHEMBL29677028 1.00 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL3338282 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL17709257 0.84 ALDH1A1 (0.68) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL28270088 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL8584989 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL16581128 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL28244208 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL9359566 0.82 ALDH1A1 (0.66) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL22651497 0.81 KMT2A (0.64) ALDH1A1HSD17B10HPGDCYP1A2KMT2A
SCHEMBL2123580 0.81 HPGD (0.73) ALDH1A1HSD17B10HPGDCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117700731-A Carbon nano tube dispersing agent, carbon nano tube composite material and preparation method 江西省纳米技术研究院 2024-03-15 CN claimed
CN-117702473-A Carbon nanotube fiber sizing agent, carbon nanotube fiber interface modification method and application 江西省纳米技术研究院 2024-03-15 CN claimed
CN-112029338-B Preparation method of environment-friendly universal adhesion promoter 无锡市盛意合成材料有限公司 2022-12-30 CN claimed
CN-110511186-B Ratiometric fluorescent probe responding to membrane charge and application of ratiometric fluorescent probe in bacterial detection 中国科学院大连化学物理研究所 2022-07-15 CN claimed
CN-112029338-A Preparation method of environment-friendly universal adhesion promoter 无锡市盛意合成材料有限公司 2020-12-04 CN claimed
WO-2011066332-A2 GRAPHENE DISPERSION, AND GRAPHENE MEMBRANE AND DEVICES INCORPORATING THE SAME RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-06-03 WO claimed
US-6797745-B1 Hot melt inks containing styrene or terpene polymers XEROX CORPORATION 2004-09-28 US claimed
US-6693091-B2 CONTAINING PHOTOACTIVE, FLUORESCENT, OR RADIOACTIVE MOIETY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2004-02-17 US claimed
US-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2003-12-04 US claimed
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies THE TRUSTEES OF COLUMBIA UNIVERSITY 2003-10-16 US claimed
WO-2003082185-A2 ANALOGS OF TERPENE TRILACTONES FROM GINKGO BILOBA AND RELATED COMPOUNDS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2003-10-09 WO claimed
JP-1283295-A None JP disclosed
JP-3261799-A None JP disclosed
JP-56113728-A None JP disclosed
JP-56126744-A None JP disclosed
WO-2003051890-A1 IMIDAZO [2,1-B]-1,3,4-THIADIAZOLE SUFLONAMIDES AEGERA THERAPEUTICS INC. (CA) 2003-06-26 WO disclosed
JP-H03261799-A CYCLIC PEPTIDE PYRENACYL ESTER AGENCY OF IND SCIENCE & TECHNOL 1991-11-21 JP disclosed
JP-H01283295-A RHAMNOLIPID PYRENACYL ESTER AGENCY OF IND SCIENCE & TECHNOL 1989-11-14 JP disclosed
JP-S56126744-A FLUOROMETRIC METHOD FOR ANALYSIS OF BILE ACID SANKYO CO LTD 1981-10-05 JP disclosed
JP-S56113728-A HALOGENOACETYLALKYLPYRENE, AND REAGENT FOR CARBOXYLIC ACID FLUOROMETRY COMPOSED THEREOF SANKYO CO LTD 1981-09-07 JP 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-20030225052-A1 Analogs of terpene trilactones from Ginkgo biloba and related compounds and uses thereof GPBAR1, GRK5, CNR1 ALDH1A1 1337/4885HSD17B10 600/4885HPGD 1782/4885
US-20030194370-A1 Analogs of terpene trilactones from ginkgo biloba for bioorganic and imaging studies GRK4, GRK1, GNB1 ALDH1A1 1006/4885HSD17B10 401/4885HPGD 872/4885

“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.