SCHEMBL4631399

SCHEMBL4631399

CC(C)(C)c1ccc(C(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
RXRB P28702 3/20 0.50
NR1H4 Q96RI1 4/20 0.47
SRD5A2 P31213 1/20 0.47
AKR1C2 P52895 3/20 0.46
AKR1C1 Q04828 1/20 0.46
AKR1C3 P42330 2/20 0.45
EPHX2 P34913 1/20 0.44
NOTUM Q6P988 1/20 0.44
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 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
SCHEMBL27923138 0.98 TDP1 (0.57) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL27888034 0.98 TDP1 (0.57) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL27904859 0.96 TDP1 (0.56) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL31350139 0.88 TDP1 (0.50) TDP1RXRBNR1H4SRD5A2NPC1
SCHEMBL17470866 0.86 CES2 (0.59) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL5873299 0.86 TDP1 (0.57) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL31528338 0.85 TDP1 (0.71) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL1356449 0.85 TDP1 (0.71) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL28432778 0.84 TDP1 (0.44) TDP1RXRBNR1H4SRD5A2AKR1C2
SCHEMBL162565 0.83 RXRB (0.69) TDP1RXRBNR1H4SRD5A2AKR1C2

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-112852014-B Asymmetric organic aromatic ligand metal salt nucleating agent and preparation method and application thereof 华东理工大学 2022-03-15 CN claimed
CN-112852014-A Asymmetric organic aromatic ligand metal salt nucleating agent and preparation method and application thereof 华东理工大学 2021-05-28 CN claimed
CN-112852014-B Asymmetric organic aromatic ligand metal salt nucleating agent and preparation method and application thereof 华东理工大学 2022-03-15 CN disclosed
CN-112852014-A Asymmetric organic aromatic ligand metal salt nucleating agent and preparation method and application thereof 华东理工大学 2021-05-28 CN disclosed
CN-105348310-A Preparation method for nucleating agent GCH TECHNOLOGY CO LTD 2016-02-24 CN disclosed
US-20150344627-A1 LOW MODULUS NEGATIVE TONE, AQUEOUS DEVELOPABLE PHOTORESIST DESIGNER MOLECULES, INC 2015-12-03 US disclosed
CN-104610720-A High-impact high-density PC/ABS alloy and preparation method thereof GUANGDONG TIANBAO NEW MATERIAL CO LTD 2015-05-13 CN disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
CN-102850578-B Nucleator composition, its preparation method and polypropylene material CHINA PETROLEUM & CHEMICAL 2013-11-06 CN disclosed
CN-102850578-A Nucleator composition, its preparation method and polypropylene material CHINA PETROLEUM & CHEMICAL 2013-01-02 CN disclosed
EP-1923449-A1 Colloidal suspensions of nanoscale particles Koninklijke Philips Electronics N.V. (NL) 2008-05-21 EP disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 TDP1 4683/4885RXRB 376/4885NR1H4 33/4885

“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.