SCHEMBL6443715

SCHEMBL6443715

Cc1cc(CBr)c(O)c(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
SELE P16581 1/20 0.43
HSPA5 P11021 1/20 0.43
ALDH1A1 P00352 4/20 0.39
ACHE P22303 1/20 0.38
CYP2D6 P10635 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 0.37
CA2 P00918 2/20 0.37
TYR P14679 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL14682851 0.88 ALDH1A1 (0.46) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL14703033 0.84 TTR (0.41) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL16077899 0.84 NPC1 (0.38) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL6906650 0.81 HSPA5 (0.72) CYP2C9CYP2C19HIF1ASMN1; SMN2HSPA5
SCHEMBL536637 0.80 GABRA1 (0.58) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL28528306 0.80 ERN1 (0.64) AMY1AHSPA5ERN1
SCHEMBL30809963 0.80 ERN1 (0.64) AMY1AHSPA5ERN1
SCHEMBL20810333 0.80 ALOX15 (0.40) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL21437010 0.78 BACE1 (0.39) ALDH1A1ACHEGABRA1GABRB2CA1
SCHEMBL11840512 0.78 ACHE (0.35) AMY1ACYP2C9CYP2C19HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024787-B Method for catalyzing ring-opening polymerization of epsilon-caprolactone by using [ OSSO ] type complex 河北工业大学 2022-05-10 CN claimed
CN-109666158-B Hybrid dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-04-07 CN disclosed
US-20220249411-A1 CALIXARENE COMPOUNDS AND USES THEREOF Universität Wien (AT) 2022-08-11 US disclosed
CN-113024787-B Method for catalyzing ring-opening polymerization of epsilon-caprolactone by using [ OSSO ] type complex 河北工业大学 2022-05-10 CN disclosed
EP-3986883-A1 CALIXARENE COMPOUNDS AND USES THEREOF Universität Wien (AT) 2022-04-27 EP disclosed
CN-114302885-A Calixarene compound and use thereof 维也纳大学 2022-04-08 CN disclosed
WO-2020254507-A1 CALIXARENE COMPOUNDS AND USES THEREOF Universität Wien (AT) 2020-12-24 WO disclosed
CN-109666130-A A kind of energy-absorbing method based on dynamic aggregation object 翁秋梅 2019-04-23 CN disclosed
CN-109666158-A A kind of hydridization dynamic aggregation object and its application 翁秋梅 2019-04-23 CN disclosed
US-6919456-B2 Catalytic compositions and methods for asymmetric aldol reactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2005-07-19 US disclosed
EP-1409122-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-04-21 EP disclosed
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-29 US disclosed
US-6610889-B2 Using organometallic complex catalyst THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2003-08-26 US disclosed
US-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-10 US disclosed
US-6462116-B2 POLYVINYL CHLORIDE(PVC), OR OTHER HALOPOLYMERS; 2-MERCAPTOETHANOL AND ZINC BIS(2-ETHYLHEXYLTHIOGLYCOLATE) FOR EXAMPLE; ELIMINATES ZINC BURN DURING PROCESSING MORTON INTERNATIONAL, INC. 2002-10-08 US disclosed
WO-2002041984-A2 CATALYTIC COMPOSITIONS AND METHODS FOR ASYMMETRIC ALDOL REACTIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-05-30 WO 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-20020147367-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A AMY1A 157/4885CYP2C9 192/4885CYP2C19 269/4885
US-20220249411-A1 CALIXARENE COMPOUNDS AND USES THEREOF GPX1, LPO, CALR AMY1A 215/4885CYP2C9 780/4885CYP2C19 734/4885
US-20040019239-A1 Catalytic compositions and methods for asymmetric aldol reactions ADH1C, ADH5, ADH1A AMY1A 157/4885CYP2C9 192/4885CYP2C19 269/4885

“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.