SCHEMBL525355

SCHEMBL525355

CCCC(O)OC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 2/20 0.49
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
F2 P00734 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 1/20 0.43
PRKCA P17252 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL128505 0.91 CA12 (0.46) LMNATSHRALDH1A1PDCD1CD274
SCHEMBL25170017 0.90 LMNA (0.50) LMNATSHRTP53ALDH1A1PDCD1
SCHEMBL28350137 0.88 LMNA (0.49) LMNATSHRTP53ALDH1A1PDCD1
Terephthalic Acid SCHEMBL8439001 0.88 MAPT (0.49) TSHRTP53ALDH1A1PDCD1CD274
SCHEMBL3074456 0.88 PRKCA (0.45) LMNAALDH1A1ADRB2ADRB1ADRB3
SCHEMBL2061233 0.88 MAPT (0.49) TSHRTP53ALDH1A1PDCD1CD274
SCHEMBL10791097 0.87 CTSK (0.54) LMNATSHRTP53ALDH1A1MEN1
SCHEMBL27650049 0.87 CTSK (0.54) LMNATSHRTP53ALDH1A1MEN1
SCHEMBL2185343 0.85 KMT2A (0.48) LMNATP53ALDH1A1KMT2ANPC1
SCHEMBL344615 0.85 TSHR (0.55) LMNATSHRTP53ALDH1A1PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000067-A1 FORMULATIONS SYNGENTA LIMITED (GB) 2016-01-07 US claimed
CN-105001307-A Coupling peptide chain capable of dissolving indissolvable polypeptide and application of the same in separation and purification in liquid chromatogram SPEC CHEM INDUSTRY INC 2015-10-28 CN claimed
CN-105001298-A Synthesis-separation and purification method for indissolvable polypeptide SPEC CHEM INDUSTRY INC 2015-10-28 CN claimed
EP-2598472-A2 FORMULATIONS Syngenta Limited (GB) 2013-06-05 EP claimed
WO-2012014152-A2 FORMULATIONS SYNGENTA LIMITED (GB) 2012-02-02 WO claimed
CN-111557880-B Whitening and firming plant essence care solution and preparation method thereof 广东海通药业有限公司 2021-05-18 CN disclosed
CN-111557880-A Whitening and firming plant essence care solution and preparation method thereof 广西漫迪丽生物科技有限公司 2020-08-21 CN disclosed
US-9807999-B2 Formulations SYNGENTA LIMITED (GB) 2017-11-07 US disclosed
CN-105001307-A Coupling peptide chain capable of dissolving indissolvable polypeptide and application of the same in separation and purification in liquid chromatogram SPEC CHEM INDUSTRY INC 2015-10-28 CN disclosed
CN-105001298-A Synthesis-separation and purification method for indissolvable polypeptide SPEC CHEM INDUSTRY INC 2015-10-28 CN disclosed
EP-2598472-B1 FORMULATIONS SYNGENTA LTD (GB) 2015-06-17 EP disclosed
CN-103265428-B Method for preparing 4-[(3-halogenate-4-oxo) butyl] benzoic acid SUZHOU MIRACPHARMA TECHNOLOGY CO LTD 2014-11-26 CN disclosed
CN-103265428-A Method for preparing 4-[(3-halogenate-4-oxo) butyl] benzoic acid SUZHOU MINGYUE MEDICAL TECHNOLOGY CO LTD 2013-08-28 CN disclosed
JP-2002336371-A SPRINKLER HEAD NOHMI BOSAI LTD 2002-11-26 JP disclosed
US-4940134-A TREATING USED PHOTOGRAPHIC SOLUTIONS, EVAPORATION, CONDENSATION KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1990-07-10 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-20160000067-A1 FORMULATIONS PRMT1, PRMT5, PRMT3 LMNA 2919/4885TSHR 2009/4885TP53 2811/4885

“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.