SCHEMBL9969762

SCHEMBL9969762

CCOC(=O)c1ccccc1OCCBr

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
TBXAS1 P24557 1/20 0.57
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 1/20 0.53
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL8131637 0.88 TSHR (0.53) TSHRTBXAS1ALDH1A1HSD17B10LMNA
SCHEMBL9969538 0.87 TSHR (0.65) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL16674272 0.87 TSHR (0.65) TSHRTBXAS1ALDH1A1HSD17B10LMNA
Ammonia Solution, Strong SCHEMBL28026710 0.86 TSHR (0.62) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL29280961 0.86 TSHR (0.62) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL5353531 0.86 TSHR (0.65) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL536025 0.85 TSHR (0.71) TSHRTBXAS1ALDH1A1HSD17B10MAPT
SCHEMBL5358607 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL16093320 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2
SCHEMBL28701055 0.84 TSHR (0.61) TSHRTBXAS1ALDH1A1HSD17B10ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997779-A Additive processing of fluoropolymers 3M创新有限公司 2020-04-10 CN disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TSHR 762/4885TBXAS1 322/4885ALDH1A1 2970/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TSHR 762/4885TBXAS1 322/4885ALDH1A1 2970/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC TSHR 3269/4885TBXAS1 1425/4885ALDH1A1 3986/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 TSHR 762/4885TBXAS1 322/4885ALDH1A1 2970/4885

“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.