SCHEMBL3971997

SCHEMBL3971997

C[CH]NCC(CC)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TSHR P16473 6/20 0.61
CYP3A4 P08684 5/20 0.61
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.39
CA2 P00918 3/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL6725223 0.81
SCHEMBL21164464 0.81 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL79568 0.81 TSHR (0.65) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL8762270 0.81 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL28138798 0.81 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL28228553 0.78 TSHR (0.55) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL28284146 0.78 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL23611735 0.77 TSHR (1.00) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL14365914 0.77 TSHR (1.00) ALDH1A1TSHRCYP3A4TDP1L3MBTL1
SCHEMBL11329652 0.77 TSHR (0.73) ALDH1A1TSHRCYP3A4TDP1L3MBTL1

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
CN-108700686-B Colored resin composition for color filter, pigment dispersion liquid, color filter, and display device DNP精细化工股份有限公司 2021-03-02 CN disclosed
CN-106521153-B The phosphine extractant of neutrality containing amino is used for the purposes and method of extraction and separation uranium 中国科学院长春应用化学研究所 2018-08-03 CN disclosed
CN-106521153-A Application and method for extracting and separating uranium with amino-containing neutral phosphine extracting agent 中国科学院长春应用化学研究所 2017-03-22 CN disclosed
CN-106521190-A Purpose and method of amido-contained neutral phosphine extracting agent for extracting and separating zirconium and/or hafnium 中国科学院长春应用化学研究所 2017-03-22 CN disclosed
US-7495040-B2 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-02-24 US disclosed
US-20090017307-A1 Process for the Preparation of Organic Materials MCA TECHNOLOGIES, GMBH (CH) 2009-01-15 US disclosed
US-20080060554-A1 Process for the Preparation of Organic Materials MCA TECHNOLOGIES, GMBH (CH) 2008-03-13 US disclosed
US-20080012918-A1 Actinic Radiation Curable Ink-Jet Ink, And Image Forming Method And Ink-Jet Recording Apparatus Using The Same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-01-17 US disclosed
US-20070119345-A1 Process for the preparation of organic materials MCA TECHNOLOGIES, GMBH (CH) 2007-05-31 US disclosed
US-20050196697-A1 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-09-08 US disclosed
US-20050165123-A1 Actinic ray curable composition, image forming method using the same and ink-jet recording apparatus using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-07-28 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-20090017307-A1 Process for the Preparation of Organic Materials KLK4, PDK4, GRK1 ALDH1A1 431/4885TSHR 2603/4885CYP3A4 164/4885

“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.