SCHEMBL9918911

SCHEMBL9918911

C(CC1CO1)OCC1CO1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 9/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
HIF1A Q16665 1/20 0.34
GLA P06280 1/20 0.32

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
SCHEMBL16232409 0.95 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL20247766 0.91 TSHR (0.78) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17197994 0.86 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL22418810 0.86 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL20094 0.86 TSHR (0.79) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL25182060 0.86 MEN1 (0.53) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL6314526 0.86 MEN1 (0.53) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1294405 0.86 MEN1 (0.53) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL9885961 0.85 TSHR (0.77) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13583289 0.83 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110790786-A Preparation process of flame-retardant epoxy resin curing agent 六安捷通达新材料有限公司 2020-02-14 CN claimed
US-20170183536-A1 Interlayer Composition For Electronic Printing XEROX CORPORATION 2017-06-29 US disclosed
US-20170051099-A1 POLYMERIC MATERIALS FOR BIO-APPLICATIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-02-23 US disclosed
US-9000110-B2 Fluoroalkyl group-containing n-substituted (meth)acrylamide compound, polymer thereof, and use thereof AGC SEIMI CHEMICAL CO., LTD. (JP) 2015-04-07 US disclosed
US-20120149860-A1 FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF , AND USE THEREOF AGC SEIMI CHEMICAL CO.,LTD. (JP) 2012-06-14 US disclosed
US-8053587-B2 for mounting onto a circuit board semiconductor devices HENKEL CORPORATION (US) 2011-11-08 US disclosed
US-7504438-B1 Demulsifiers, their preparation and use in oil bearing formations NALCO COMPANY (US) 2009-03-17 US disclosed
US-20080214840-A1 Reworkable thermosetting resin composition HENKEL CORPORATION (US) 2008-09-04 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 (3 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-20170051099-A1 POLYMERIC MATERIALS FOR BIO-APPLICATIONS ECPAS, BTD, SMARCA2 TSHR 4621/4885SMN1; SMN2 800/4885ALDH1A1 2190/4885
US-20120149860-A1 FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF , AND USE THEREOF AFF2, AFF1, FRG1 TSHR 2065/4885SMN1; SMN2 3754/4885ALDH1A1 3201/4885
US-20080214840-A1 Reworkable thermosetting resin composition GSS, LSS, LRBA TSHR 4699/4885SMN1; SMN2 2972/4885ALDH1A1 3634/4885

“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.