SCHEMBL5547660

SCHEMBL5547660

CCCOC(=O)c1ccc(C(=O)O)c(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 2/20 0.53
TSHR P16473 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
ESR1 P03372 1/20 0.51
CHRM1 P11229 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
SELL P14151 1/20 0.47
SELP P16109 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.46
SERPINE1 P05121 1/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL727135 0.86 ALDH1A1 (0.59) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL3173907 0.85 TSHR (0.57) ALDH1A1TSHRTDP1ESR1L3MBTL1
SCHEMBL5788119 0.81 ALDH1A1 (0.68) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL31589072 0.80 ALDH1A1 (0.85) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL235931 0.80 ALDH1A1 (0.85) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL829907 0.79 ALDH1A1 (0.60) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL827862 0.79 ALDH1A1 (0.60) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL11577038 0.79 ALDH1A1 (0.60) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL27534694 0.79 ALDH1A1 (0.60) ALDH1A1LMNATSHRTDP1ESR1
SCHEMBL9504146 0.79 ALDH1A1 (0.70) ALDH1A1LMNATSHRTDP1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110528108-B Preparation method of multicomponent copolyester elastic fiber 浙江恒澜科技有限公司 2021-09-28 CN claimed
CN-110528108-B Preparation method of multicomponent copolyester elastic fiber 浙江恒澜科技有限公司 2021-09-28 CN disclosed
CN-110528108-B Preparation method of multicomponent copolyester elastic fiber 浙江恒澜科技有限公司 2021-09-28 CN disclosed
CN-107955148-B Catalyst for producing polytrimethylene terephthalate and preparation method and application thereof 中国石油化工股份有限公司 2020-04-17 CN disclosed
CN-107964092-B Catalyst for producing polytrimethylene terephthalate and preparation method and application thereof 中国石油化工股份有限公司 2020-04-17 CN disclosed
US-7169588-B2 Bioconversion of a fermentable carbon source to 1,3-propanediol by a single microorganism E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-30 US disclosed
US-20030082756-A1 1,3-propanediol and polymer derivatives from a fermentable carbon source BURCH ROBERT R (US) 2003-05-01 US disclosed
US-6428767-B1 IDENTIFYING PRESENCE OF BIOSOURCED 1,3-PROPANEDIOL BY DETERMINING THE ISOTOPE AMOUNT; USED IN POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY 2002-08-06 US disclosed
EP-1222303-A2 1,3-PROPANEDIOL AND POLYMER DERIVATIVES FROM A FERMENTABLE CARBON SOURCE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-07-17 EP disclosed
WO-2001011070-A2 1,3-PROPANEDIOL AND POLYMER DERIVATIVES FROM A FERMENTABLE CARBON SOURCE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-02-15 WO disclosed
US-5849849-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-12-15 US disclosed
US-5688898-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-18 US disclosed
US-5599900-A Polyesters production process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-02-04 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 (1 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-20030082756-A1 1,3-propanediol and polymer derivatives from a fermentable carbon source PGD, PHGDH, HPD ALDH1A1 184/4885LMNA 4689/4885TSHR 3426/4885

“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.