SCHEMBL9918910

SCHEMBL9918910

CCCC(OCC1CO1)C(COCC1CO1)OCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.39
MAPK1 P28482 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
SCHEMBL6859067 0.90 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL14696629 0.87 TSHR (0.48) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL6306013 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL6305973 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL13818304 0.80 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL4471116 0.80 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL729850 0.80 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL10155854 0.80 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL28439636 0.79 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL21723666 0.79 TSHR (0.41) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022223-A1 METHOD FOR PRODUCING SURFACE-MODIFIED BASE MATERIAL, METHOD FOR PRODUCING JOINED BODY, NEW HYDROSILANE COMPOUND, SURFACE TREATMENT AGENT, SURFACE TREATMENT AGENT KIT, AND SURFACE-MODIFIED BASE MATERIAL SIHS REACT CO., LTD. (JP) 2017-01-26 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

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-20170022223-A1 METHOD FOR PRODUCING SURFACE-MODIFIED BASE MATERIAL, METHOD FOR PRODUCING JOINED BODY, NEW HYDROSILANE COMPOUND, SURFACE TREATMENT AGENT, SURFACE TREATMENT AGENT KIT, AND SURFACE-MODIFIED BASE MATERIAL BRSK1, SIK2, KIT ALDH1A1 2395/4885SMN1; SMN2 1743/4885TDP1 2309/4885
US-20120149860-A1 FLUOROALKYL GROUP-CONTAINING N-SUBSTITUTED (METH)ACRYLAMIDE COMPOUND, POLYMER THEREOF , AND USE THEREOF AFF2, AFF1, FRG1 ALDH1A1 3201/4885SMN1; SMN2 3754/4885TDP1 2632/4885

“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.