SCHEMBL2539792

SCHEMBL2539792

C=C(OCCCC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 3/20 0.45
TP53 P04637 1/20 0.44
LTA4H P09960 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP2C9 P11712 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL3652003 0.93 TSHR (0.53) TSHRTDP1LMNAALDH1A1MAPK1
SCHEMBL27957193 0.88 LMNA (0.60) TSHRTDP1LMNAALDH1A1ESR1
SCHEMBL7695874 0.81 TSHR (0.45) TSHRTDP1L3MBTL1LMNAALDH1A1
SCHEMBL3391109 0.79 MAPT (0.56) TSHRLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL316833 0.79 TSHR (0.53) TSHRTDP1L3MBTL1LMNAALDH1A1
SCHEMBL2830666 0.79 HDAC3 (0.45) TSHRTDP1L3MBTL1LMNAALDH1A1
SCHEMBL20863281 0.79 L3MBTL1 (0.55) TSHRTDP1L3MBTL1LMNAMAPK1
SCHEMBL8741712 0.79 TDP1 (0.41) TSHRTDP1LMNAALDH1A1MAPK1
SCHEMBL27899569 0.78 TSHR (0.48) TSHRTDP1LMNAALDH1A1SMN1; SMN2
SCHEMBL27720598 0.78 LMNA (0.50) TDP1LMNASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024122747-A1 POLYMER GEL, CONTAINING PLASTICIZER, FOR TRIBOELECTRIC ENERGY HARVESTER AND TRIBOELECTRIC ENERGY HARVESTER COMPRISING SAME 한국기술교육대학교 산학협력단 2024-06-13 WO disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
US-9839629-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170291862-A1 METHOD FOR PRODUCING OLEFIN ASAHI GLASS COMPANY, LIMITED (JP) 2017-10-12 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL WUXI APPTEC (SHANGHAI) CO., LTD. (CN) 2017-09-28 US disclosed
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2016-11-10 US disclosed
US-8268908-B2 Pigment dispersion liquid, inkjet recording ink, inkjet recording method, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2012-09-18 US disclosed
US-8043423-B2 Pigment dispersion liquid, ink jet recording ink, ink jet recording method, ink cartridge and ink jet recording apparatus CANON FINETECH INC. (JP) 2011-10-25 US disclosed
US-20100021635-A1 PIGMENT DISPERSION LIQUID, INKJET RECORDING INK, INKJET RECORDING METHOD, INK CARTRIDGE AND INKJET RECORDING APPARATUS CANON FINETECH INC. (JP) 2010-01-28 US disclosed
US-7638388-B2 Method of forming a pattern and method of manufacturing a capacitor using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-12-29 US disclosed
US-20090162552-A1 PIGMENT DISPERSION LIQUID, INK JET RECORDING INK, INK JET RECORDING METHOD, INK CARTRIDGE AND INK JET RECORDING APPARATUS CANON FINETECH INC. (JP) 2009-06-25 US disclosed
US-20080124911-A1 METHOD OF FORMING A PATTERN AND METHOD OF MANUFACTURING A CAPACITOR USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (JP) 2008-05-29 US disclosed
CN-101128424-A Indole compound and use thereof ONO PHARMACEUTICAL CO (JP) 2008-02-20 CN 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 (4 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-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D TSHR 2780/4885TDP1 55/4885L3MBTL1 4517/4885
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 TSHR 1759/4885TDP1 3694/4885L3MBTL1 4260/4885
US-20170275298-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 TSHR 1559/4885TDP1 3777/4885L3MBTL1 3603/4885
US-20170291862-A1 METHOD FOR PRODUCING OLEFIN CYP4F11, CYP51A1, CYP2F1 TSHR 3840/4885TDP1 4659/4885L3MBTL1 4531/4885

“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.