SCHEMBL5134023

SCHEMBL5134023

C=CCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CHKA P35790 7/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ALOX15 P16050 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL11117970 1.00 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2CHKABCHE
SCHEMBL27862519 0.90 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2CHKAMAPT
SCHEMBL28210915 0.84 CNR2 (0.49) ALDH1A1KDM4ESMN1; SMN2CHKAMAPT
SCHEMBL6065386 0.82 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2CHKABCHE
SCHEMBL6675490 0.81 ADRB1 (0.53) ALDH1A1KDM4EUSP2HSD17B10LMNA
SCHEMBL6675497 0.81 ADRB1 (0.53) ALDH1A1KDM4EUSP2HSD17B10LMNA
SCHEMBL27862322 0.80 PRMT6 (0.58) ALDH1A1KDM4ECHKABCHEACHE
SCHEMBL15551035 0.79 TRIM24 (0.61) ALDH1A1KDM4ESMN1; SMN2CHKABCHE
SCHEMBL9915870 0.79 CHKA (0.65) ALDH1A1KDM4ESMN1; SMN2CHKABCHE
SCHEMBL11859247 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2CHKABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 — — US claimed
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 — — EP claimed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 — — US claimed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 — — WO claimed
US-5574037-A MODULATED BY SINO-ATRIAL NODE, ANTIISCHEMIC AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-11-12 — — US claimed
CN-102382257-B Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO 2015-02-11 — — CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 — — CN disclosed
CN-104098744-A Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL CO 2014-10-15 — — CN disclosed
CN-104045768-A CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL CO 2014-09-17 — — CN disclosed
CN-104045769-A CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL CO 2014-09-17 — — CN disclosed
CN-102432759-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2012-05-02 — — CN disclosed
CN-102382258-A Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO 2012-03-21 — — CN disclosed
CN-102382257-A Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO 2012-03-21 — — CN disclosed
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 — — US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 — — US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 — — EP disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 — — US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 — — WO disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 — — 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ ALDH1A1 287/4885KDM4E 1427/4885SMN1; SMN2 1400/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ ALDH1A1 287/4885KDM4E 1427/4885SMN1; SMN2 1400/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ ALDH1A1 287/4885KDM4E 1427/4885SMN1; SMN2 1400/4885

“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.

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